Vitas-M small molecule compound
N-(5-chloro-2-methylphenyl)-2-[(6-methyl-4-oxo-3-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL093384
SMILES O=C(Nc1cc(Cl)ccc1C)CSc1nc2cc([nH]c2c(=O)n1c1ccccc1)C
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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 C22H19ClN4O2S MW 438.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN4O2S/c1-13-8-9-15(23)11-17(13)25-19(28)12-30-22-26-18-10-14(2)24-20(18)21(29)27(22)16-6-4-3-5-7-16/h3-11,24H,12H2,1-2H3,(H,25,28)InChIKey
PUYNIZBUQCUSKY-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC(=C3)C
InChI=1SC22H19ClN4O2Sc1138915(23)1117(13)2519(28)12302226181014(2)2420(18)21(29)27(22)166435716h31124H12H212H3(H2528)
MFCD18787518
N(5chloro2methylphenyl)2((6methyl4oxo3phenyl45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(5chloro2methylphenyl)2((6methyl4oxo3phenyl5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
O=C(Nc1cc(Cl)ccc1C)CSc1nc2cc((nH)c2c(=O)n1c1ccccc1)C
ZINC000067236737
ZINC67236737
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