Vitas-M small molecule compound
N-(2,5-dimethylphenyl)-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Catalog ID
STK985775
SMILES O=C(Nc1cc(C)ccc1C)CSc1nc2[nH]ncc2c(=O)n1c1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H19N5O2S MW 405.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O2S/c1-13-8-9-14(2)17(10-13)23-18(27)12-29-21-24-19-16(11-22-25-19)20(28)26(21)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,22,25)(H,23,27)InChIKey
NYEUQEXICRQHOQ-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4
InChI=1SC21H19N5O2Sc1138914(2)17(1013)2318(27)122921241916(11222519)20(28)26(21)156435715h311H12H212H3(H2225)(H2327)
MFCD18182732
N(25dimethylphenyl)2((4oxo5phenyl1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
N(25dimethylphenyl)2((4oxo5phenyl45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
O=C(Nc1cc(C)ccc1C)CSc1nc2(nH)ncc2c(=O)n1c1ccccc1
ZINC000051316678
ZINC51316678
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