Vitas-M small molecule compound
methyl (4Z)-4-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK020196
SMILES COCCCN1C(=O)/C(=C\c2cc(n(c2C)c2ccccc2C(F)(F)F)C)/C(=C1C)C(=O)OC
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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 C25H27F3N2O4 MW 476.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27F3N2O4/c1-15-13-18(16(2)30(15)21-10-7-6-9-20(21)25(26,27)28)14-19-22(24(32)34-5)17(3)29(23(19)31)11-8-12-33-4/h6-7,9-10,13-14H,8,11-12H2,1-5H3/b19-14-InChIKey
KXSIMSOWJCFOLK-RGEXLXHISA-NSynonyms
CC1=CC(=C(N1C2=CC=CC=C2C(F)(F)F)C)C=C3C(=C(N(C3=O)CCCOC)C)C(=O)OC
COCCCN1C(=O)C(=Cc2cc(n(c2C)c2ccccc2C(F)(F)F)C)C(=C1C)C(=O)OC
InChI=1SC25H27F3N2O4c1151318(16(2)30(15)211076920(21)25(2627)28)141922(24(32)345)17(3)29(23(19)31)11812334h679101314H81112H215H3b1914
METHYL(4Z)4((25DIMETHYL1(2(TRIFLUOROMETHYL)PHENYL)1HPYRROL3YL)METHYLIDENE)1(3METHOXYPROPYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((25DIMETHYL1(2(TRIFLUOROMETHYL)PHENYL)PYRROL3YL)METHYLIDENE)1(3METHOXYPROPYL)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL4((25DIMETHYL1(2(TRIFLUOROMETHYL)PHENYL)1HPYRROL3YL)METHYLENE)1(3METHOXYPROPYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03270002
STK020196
ZINC000002099149
ZINC02099149
ZINC2099149
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