Vitas-M small molecule compound
N-(3-chlorophenyl)-2-[(6-methyl-4-oxo-3-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL093383
SMILES O=C(Nc1cccc(c1)Cl)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 C21H17ClN4O2S MW 424.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O2S/c1-13-10-17-19(23-13)20(28)26(16-8-3-2-4-9-16)21(25-17)29-12-18(27)24-15-7-5-6-14(22)11-15/h2-11,23H,12H2,1H3,(H,24,27)InChIKey
VTBCNHALUQQQQD-UHFFFAOYSA-NSynonyms
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)Cl)C4=CC=CC=C4
InChI=1SC21H17ClN4O2Sc113101719(2313)20(28)26(168324916)21(2517)291218(27)241575614(22)1115h21123H12H21H3(H2427)
MFCD18787517
N(3chlorophenyl)2((6methyl4oxo3phenyl45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(3chlorophenyl)2((6methyl4oxo3phenyl5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
O=C(Nc1cccc(c1)Cl)CSc1nc2cc((nH)c2c(=O)n1c1ccccc1)C
ZINC000067236728
ZINC67236728
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