Vitas-M small molecule compound
N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3,4,5-trimethoxybenzamide
Catalog ID
STK684184
SMILES COc1cc(cc(c1OC)OC)C(=O)NC1(C(=O)Nc2c1c(=O)[nH]c(=O)n2c1ccc(cc1)Cl)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 C23H18ClF3N4O7 MW 554.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClF3N4O7/c1-36-13-8-10(9-14(37-2)16(13)38-3)18(32)30-22(23(25,26)27)15-17(28-20(22)34)31(21(35)29-19(15)33)12-6-4-11(24)5-7-12/h4-9H,1-3H3,(H,28,34)(H,30,32)(H,29,33,35)InChIKey
XQLSHABSFQRLSB-UHFFFAOYSA-NSynonyms
COC1=CC(=CC(=C1OC)OC)C(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)C4=CC=C(C=C4)Cl)C(F)(F)F
COc1cc(cc(c1OC)OC)C(=O)NC1(C(=O)Nc2c1c(=O)(nH)c(=O)n2c1ccc(cc1)Cl)C(F)(F)F
InChI=1SC23H18ClF3N4O7c13613810(914(372)16(13)383)18(32)3022(23(2526)27)1517(2820(22)34)31(21(35)2919(15)33)126411(24)5712h49H13H3(H2834)(H3032)(H293335)
MFCD05259903
N(1(4chlorophenyl)246trioxo5(trifluoromethyl)234567hexahydro1Hpyrrolo(23d)pyrimidin5yl)345trimethoxybenzamide
N(1(4CHLOROPHENYL)246TRIOXO5(TRIFLUOROMETHYL)7HPYRROLO(23D)PYRIMIDIN5YL)345TRIMETHOXYBENZAMIDE
ZINC000100164919
ZINC000100164921
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