Vitas-M small molecule compound
2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(thiophen-2-yl)ethyl]acetamide
Catalog ID
STL093875
SMILES O=C(CSc1nc2cc([nH]c2c(=O)n1c1ccc(cc1)F)C)NCCc1cccs1
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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 C21H19FN4O2S2 MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN4O2S2/c1-13-11-17-19(24-13)20(28)26(15-6-4-14(22)5-7-15)21(25-17)30-12-18(27)23-9-8-16-3-2-10-29-16/h2-7,10-11,24H,8-9,12H2,1H3,(H,23,27)InChIKey
NHPDUJBCIIBAPL-UHFFFAOYSA-NSynonyms
2((3(4fluorophenyl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(2(thiophen2yl)ethyl)acetamide
2((3(4fluorophenyl)6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(2thiophen2ylethyl)acetamide
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NCCC3=CC=CS3)C4=CC=C(C=C4)F
InChI=1SC21H19FN4O2S2c113111719(2413)20(28)26(156414(22)5715)21(2517)301218(27)23981632102916h27101124H8912H21H3(H2327)
MFCD18788009
O=C(CSc1nc2cc((nH)c2c(=O)n1c1ccc(cc1)F)C)NCCc1cccs1
ZINC000067239403
ZINC67239403
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