Vitas-M small molecule compound
N-{1-[2-(3,4-diethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}benzamide
Catalog ID
STK679514
SMILES CCOc1cc(ccc1OCC)CCn1c(=O)[nH]c(=O)c2c1NC(=O)C2(NC(=O)c1ccccc1)C(F)(F)F
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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 C26H25F3N4O6 MW 546.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25F3N4O6/c1-3-38-17-11-10-15(14-18(17)39-4-2)12-13-33-20-19(22(35)31-24(33)37)25(23(36)30-20,26(27,28)29)32-21(34)16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,30,36)(H,32,34)(H,31,35,37)InChIKey
KYIYEKZGARHELC-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)CCN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=CC=C4)OCC
CCOc1cc(ccc1OCC)CCn1c(=O)(nH)c(=O)c2c1NC(=O)C2(NC(=O)c1ccccc1)C(F)(F)F
InChI=1SC26H25F3N4O6c133817111015(1418(17)3942)1213332019(22(35)3124(33)37)25(23(36)302026(2728)29)3221(34)168657916h51114H341213H212H3(H3036)(H3234)(H313537)
MFCD03763674
N(1(2(34diethoxyphenyl)ethyl)246trioxo5(trifluoromethyl)234567hexahydro1Hpyrrolo(23d)pyrimidin5yl)benzamide
N(1(2(34DIETHOXYPHENYL)ETHYL)246TRIOXO5(TRIFLUOROMETHYL)7HPYRROLO(23D)PYRIMIDIN5YL)BENZAMIDE
ZINC000002192589
ZINC000002192590
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