Vitas-M small molecule compound
3-cyclohexyl-N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}propanamide
Catalog ID
STK567581
SMILES COc1cc(ccc1OC)CCn1c(=O)nc(c2c1NC(=O)C2(NC(=O)CCC1CCCCC1)C(F)(F)F)O
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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 C26H31F3N4O6 MW 552.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31F3N4O6/c1-38-17-10-8-16(14-18(17)39-2)12-13-33-21-20(22(35)31-24(33)37)25(23(36)30-21,26(27,28)29)32-19(34)11-9-15-6-4-3-5-7-15/h8,10,14-15H,3-7,9,11-13H2,1-2H3,(H,30,36)(H,32,34)(H,31,35,37)InChIKey
SRLSKKZWKNZKHI-UHFFFAOYSA-NSynonyms
3CYCLOHEXYLN(1(2(34DIMETHOXYPHENYL)ETHYL)246TRIOXO5(TRIFLUOROMETHYL)7HPYRROLO(23D)PYRIMIDIN5YL)PROPANAMIDE
3cyclohexylN(1(2(34dimethoxyphenyl)ethyl)4hydroxy26dioxo5(trifluoromethyl)2567tetrahydro1Hpyrrolo(23d)pyrimidin5yl)propanamide
COC1=C(C=C(C=C1)CCN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)CCC4CCCCC4)OC
InChI=1SC26H31F3N4O6c1381710816(1418(17)392)1213332120(22(35)3124(33)37)25(23(36)302126(2728)29)3219(34)119156435715h8101415H3791113H212H3(H3036)(H3234)(H313537)
MFCD05735067
ZINC000100934338
ZINC000100934341
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