Vitas-M small molecule compound
methyl (4Z)-1-(2-chlorophenyl)-4-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK078757
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1cc(C)ccc1OC)C)c1ccccc1Cl
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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 C28H27ClN2O4 MW 490.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O4/c1-16-11-12-25(34-5)24(13-16)30-17(2)14-20(18(30)3)15-21-26(28(33)35-6)19(4)31(27(21)32)23-10-8-7-9-22(23)29/h7-15H,1-6H3/b21-15-InChIKey
JPCANPXZHZCGJH-QNGOZBTKSA-NSynonyms
CC1=CC(=C(C=C1)OC)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)C4=CC=CC=C4Cl)C)C(=O)OC)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1cc(C)ccc1OC)C)c1ccccc1Cl
InChI=1SC28H27ClN2O4c116111225(345)24(1316)3017(2)1420(18(30)3)152126(28(33)356)19(4)31(27(21)32)231087922(23)29h715H16H3b2115
METHYL(4Z)1(2CHLOROPHENYL)4((1(2METHOXY5METHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(2CHLOROPHENYL)4((1(2METHOXY5METHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD08671285
STK078757
ZINC000009635944
ZINC09635944
ZINC9635944
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