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-(4-methylcyclohexyl)acetamide
Catalog ID
STL103916
SMILES CC1CCC(CC1)NC(=O)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 C22H25FN4O2S MW 428.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25FN4O2S/c1-13-3-7-16(8-4-13)25-19(28)12-30-22-26-18-11-14(2)24-20(18)21(29)27(22)17-9-5-15(23)6-10-17/h5-6,9-11,13,16,24H,3-4,7-8,12H2,1-2H3,(H,25,28)InChIKey
NSVZUAPCQWGIQE-UHFFFAOYSA-NSynonyms
2((3(4fluorophenyl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(4methylcyclohexyl)acetamide
2((3(4fluorophenyl)6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(4methylcyclohexyl)acetamide
CC1CCC(CC1)NC(=O)CSc1nc2cc((nH)c2c(=O)n1c1ccc(cc1)F)C
CC1CCC(CC1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)NC(=C3)C
InChI=1SC22H25FN4O2Sc1133716(8413)2519(28)12302226181114(2)2420(18)21(29)27(22)179515(23)61017h56911131624H347812H212H3(H2528)
MFCD20735518
ZINC000067239414
ZINC67239414
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