Vitas-M small molecule compound
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[6-methyl-3-(3-methylbutyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL109830
SMILES CC(CCn1c(SCC(=O)Nc2ccc(cc2C(F)(F)F)Cl)nc2c(c1=O)[nH]c(c2)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 C21H22ClF3N4O2S MW 486.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClF3N4O2S/c1-11(2)6-7-29-19(31)18-16(8-12(3)26-18)28-20(29)32-10-17(30)27-15-5-4-13(22)9-14(15)21(23,24)25/h4-5,8-9,11,26H,6-7,10H2,1-3H3,(H,27,30)InChIKey
KDDABYAIOQPUQN-UHFFFAOYSA-NSynonyms
CC(CCn1c(SCC(=O)Nc2ccc(cc2C(F)(F)F)Cl)nc2c(c1=O)(nH)c(c2)C)C
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F)CCC(C)C
InChI=1SC21H22ClF3N4O2Sc111(2)672919(31)1816(812(3)2618)2820(29)321017(30)27155413(22)914(15)21(2324)25h45891126H6710H213H3(H2730)
MFCD20744764
N(4chloro2(trifluoromethyl)phenyl)2((6methyl3(3methylbutyl)4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(4chloro2(trifluoromethyl)phenyl)2((6methyl3(3methylbutyl)4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067299610
ZINC67299610
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