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-phenylacetamide
Catalog ID
STL103795
SMILES O=C(Nc1ccccc1)CSc1nc2cc([nH]c2c(=O)n1c1ccc(cc1)F)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 C21H17FN4O2S MW 408.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17FN4O2S/c1-13-11-17-19(23-13)20(28)26(16-9-7-14(22)8-10-16)21(25-17)29-12-18(27)24-15-5-3-2-4-6-15/h2-11,23H,12H2,1H3,(H,24,27)InChIKey
RQFBGWAJQPLEBY-UHFFFAOYSA-NSynonyms
2((3(4fluorophenyl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)Nphenylacetamide
2((3(4fluorophenyl)6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)Nphenylacetamide
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)F
InChI=1SC21H17FN4O2Sc113111719(2313)20(28)26(169714(22)81016)21(2517)291218(27)24155324615h21123H12H21H3(H2427)
MFCD20735397
ZINC000067237420
ZINC67237420
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