Vitas-M small molecule compound

methyl (4Z)-1-(3,4-dimethoxyphenyl)-4-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK160580
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccccc1C(F)(F)F)C)c1ccc(c(c1)OC)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 C29H27F3N2O5 MW 540.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27F3N2O5/c1-16-13-19(17(2)33(16)23-10-8-7-9-22(23)29(30,31)32)14-21-26(28(36)39-6)18(3)34(27(21)35)20-11-12-24(37-4)25(15-20)38-5/h7-15H,1-6H3/b21-14-
InChIKey
UYGDANYJWWJWBD-STZFKDTASA-N
Synonyms

CC1=CC(=C(N1C2=CC=CC=C2C(F)(F)F)C)C=C3C(=C(N(C3=O)C4=CC(=C(C=C4)OC)OC)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccccc1C(F)(F)F)C)c1ccc(c(c1)OC)OC
InChI=1SC29H27F3N2O5c1161319(17(2)33(16)231087922(23)29(3031)32)142126(28(36)396)18(3)34(27(21)35)20111224(374)25(1520)385h715H16H3b2114
METHYL(4Z)1(34DIMETHOXYPHENYL)4((25DIMETHYL1(2(TRIFLUOROMETHYL)PHENYL)1HPYRROL3YL)METHYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(34DIMETHOXYPHENYL)4((25DIMETHYL1(2(TRIFLUOROMETHYL)PHENYL)PYRROL3YL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL1(34DIMETHOXYPHENYL)4((25DIMETHYL1(2(TRIFLUOROMETHYL)PHENYL)1HPYRROL3YL)METHYLENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03272435
ZINC000097944931
ZINC97944931

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.