Vitas-M small molecule compound
methyl 4-{[(4-tert-butylphenyl)carbonyl]amino}-2-methyl-5-oxo-1-(propan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK792266
SMILES COC(=O)C1=C(C)N(C(=O)C1(NC(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F)C(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 C22H27F3N2O4 MW 440.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27F3N2O4/c1-12(2)27-13(3)16(18(29)31-7)21(19(27)30,22(23,24)25)26-17(28)14-8-10-15(11-9-14)20(4,5)6/h8-12H,1-7H3,(H,26,28)InChIKey
RITDZVFZQNSMOL-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=O)N1C(C)C)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC
InChI=1SC22H27F3N2O4c112(2)2713(3)16(18(29)317)21(19(27)3022(2324)25)2617(28)1481015(11914)20(45)6h812H17H3(H2628)
methyl4(((4tertbutylphenyl)carbonyl)amino)2methyl5oxo1(propan2yl)4(trifluoromethyl)45dihydro1Hpyrrole3carboxylate
METHYL4((4TERTBUTYLBENZOYL)AMINO)2METHYL5OXO1PROPAN2YL4(TRIFLUOROMETHYL)PYRROLE3CARBOXYLATE
MFCD06002204
ZINC000012402647
ZINC000012402648
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