Vitas-M small molecule compound
N-(2-fluorobenzyl)-2-{[6-methyl-4-oxo-3-(propan-2-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL098996
SMILES O=C(NCc1ccccc1F)CSc1nc2cc([nH]c2c(=O)n1C(C)C)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 C19H21FN4O2S MW 388.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21FN4O2S/c1-11(2)24-18(26)17-15(8-12(3)22-17)23-19(24)27-10-16(25)21-9-13-6-4-5-7-14(13)20/h4-8,11,22H,9-10H2,1-3H3,(H,21,25)InChIKey
NCYQSEHUTZQRGE-UHFFFAOYSA-NSynonyms
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CC=C3F)C(C)C
InChI=1SC19H21FN4O2Sc111(2)2418(26)1715(812(3)2217)2319(24)271016(25)21913645714(13)20h481122H910H213H3(H2125)
MFCD18790228
N((2fluorophenyl)methyl)2((6methyl4oxo3propan2yl5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(2fluorobenzyl)2((6methyl4oxo3(propan2yl)45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
O=C(NCc1ccccc1F)CSc1nc2cc((nH)c2c(=O)n1C(C)C)C
ZINC000067299456
ZINC67299456
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