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2097381-85-4

Name VH298
CAS 2097381-85-4
Molecular Formula C27H33N5O4S
MDL Number MFCD30742947
Molecular Weight 523.65
MOL File 2097381-85-4.mol
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Chemical Properties

Boiling point  860.8±65.0 °C(Predicted)
density  1.33±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  DMF:30.0(Max Conc. mg/mL);57.29(Max Conc. mM)
DMSO:66.42(Max Conc. mg/mL);126.84(Max Conc. mM)
Ethanol:60.79(Max Conc. mg/mL);116.09(Max Conc. mM)
Ethanol:PBS (pH 7.2) (1:9):0.1(Max Conc. mg/mL);0.19(Max Conc. mM)
form  A crystalline solid
pka 12.28±0.20(Predicted)
InChIKey NDVQUNZCNAMROD-RZUBCFFCSA-N
SMILES C(NCC1=CC=C(C2SC=NC=2C)C=C1)(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)(C)C)NC(C1(C#N)CC1)=O

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