Vitas-M small molecule compound

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

Catalog ID
STK168446
SMILES C=CCN1C(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)C)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 C24H26N2O3 MW 390.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O3/c1-7-12-25-18(5)22(24(28)29-6)21(23(25)27)14-19-13-16(3)26(17(19)4)20-10-8-15(2)9-11-20/h7-11,13-14H,1,12H2,2-6H3/b21-14-
InChIKey
QBOBPINEDCJVSH-STZFKDTASA-N
Synonyms

C=CCN1C(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)C)C)C(=C1C)C(=O)OC
CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)CC=C)C)C(=O)OC)C
InChI=1SC24H26N2O3c17122518(5)22(24(28)296)21(23(25)27)14191316(3)26(17(19)4)2010815(2)91120h7111314H112H226H3b2114
METHYL(4Z)4((25DIMETHYL1(4METHYLPHENYL)1HPYRROL3YL)METHYLIDENE)2METHYL5OXO1(PROP2EN1YL)45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((25DIMETHYL1(4METHYLPHENYL)PYRROL3YL)METHYLIDENE)2METHYL5OXO1PROP2ENYLPYRROLE3CARBOXYLATE
METHYL1ALLYL4((25DIMETHYL1(4METHYLPHENYL)1HPYRROL3YL)METHYLENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03269806
ZINC000014010485
ZINC14010485

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Available files

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