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}-3-fluorobenzamide
Catalog ID
STK679369
SMILES CCOc1cc(ccc1OCC)CCn1c(=O)[nH]c(=O)c2c1NC(=O)C2(NC(=O)c1cccc(c1)F)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 C26H24F4N4O6 MW 564.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24F4N4O6/c1-3-39-17-9-8-14(12-18(17)40-4-2)10-11-34-20-19(22(36)32-24(34)38)25(23(37)31-20,26(28,29)30)33-21(35)15-6-5-7-16(27)13-15/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,31,37)(H,33,35)(H,32,36,38)InChIKey
XPDZWLUDUSRJOL-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)F)OCC
CCOc1cc(ccc1OCC)CCn1c(=O)(nH)c(=O)c2c1NC(=O)C2(NC(=O)c1cccc(c1)F)C(F)(F)F
InChI=1SC26H24F4N4O6c1339179814(1218(17)4042)1011342019(22(36)3224(34)38)25(23(37)312026(2829)30)3321(35)1565716(27)1315h591213H341011H212H3(H3137)(H3335)(H323638)
MFCD03409315
N(1(2(34diethoxyphenyl)ethyl)246trioxo5(trifluoromethyl)234567hexahydro1Hpyrrolo(23d)pyrimidin5yl)3fluorobenzamide
N(1(2(34DIETHOXYPHENYL)ETHYL)246TRIOXO5(TRIFLUOROMETHYL)7HPYRROLO(23D)PYRIMIDIN5YL)3FLUOROBENZAMIDE
N(7(2(34DIETHOXYPHENYL)ETHYL)246TRIOXO3(TRIFLUOROMETHYL)(357TRIHYDRO57DIAZAINDOL3YL))(3FLUOROPHENYL)CARBOXAMIDE
ZINC000002192639
ZINC000002192640
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