Vitas-M small molecule compound
methyl (5Z)-1-(4-chlorophenyl)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK169313
SMILES COC(=O)C1=C(C)N(/C(=C\c2cc(n(c2C)c2ccccc2C(F)(F)F)C)/C1=O)c1ccc(cc1)Cl
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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 C27H22ClF3N2O3 MW 514.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClF3N2O3/c1-15-13-18(16(2)32(15)22-8-6-5-7-21(22)27(29,30)31)14-23-25(34)24(26(35)36-4)17(3)33(23)20-11-9-19(28)10-12-20/h5-14H,1-4H3/b23-14-InChIKey
FYXFHERTVHUJQD-UCQKPKSFSA-NSynonyms
(Z)methyl1(4chlorophenyl)5((25dimethyl1(2(trifluoromethyl)phenyl)1Hpyrrol3yl)methylene)2methyl4oxo45dihydro1Hpyrrole3carboxylate
CC1=CC(=C(N1C2=CC=CC=C2C(F)(F)F)C)C=C3C(=O)C(=C(N3C4=CC=C(C=C4)Cl)C)C(=O)OC
COC(=O)C1=C(C)N(C(=Cc2cc(n(c2C)c2ccccc2C(F)(F)F)C)C1=O)c1ccc(cc1)Cl
InChI=1SC27H22ClF3N2O3c1151318(16(2)32(15)22865721(22)27(2930)31)142325(34)24(26(35)364)17(3)33(23)2011919(28)101220h514H14H3b2314
METHYL(5Z)1(4CHLOROPHENYL)5((25DIMETHYL1(2(TRIFLUOROMETHYL)PHENYL)1HPYRROL3YL)METHYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(5Z)1(4CHLOROPHENYL)5((25DIMETHYL1(2(TRIFLUOROMETHYL)PHENYL)PYRROL3YL)METHYLIDENE)2METHYL4OXOPYRROLE3CARBOXYLATE
METHYL1(4CHLOROPHENYL)5((25DIMETHYL1(2(TRIFLUOROMETHYL)PHENYL)1HPYRROL3YL)METHYLENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD02325212
ZINC000002075959
ZINC02075959
ZINC2075959
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