Vitas-M small molecule compound

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

Catalog ID
STK161491
SMILES CCN1C(=O)/C(=C\c2cc(n(c2C)c2cccc(c2)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 C23H26N2O3 MW 378.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O3/c1-7-24-17(5)21(23(27)28-6)20(22(24)26)13-18-12-15(3)25(16(18)4)19-10-8-9-14(2)11-19/h8-13H,7H2,1-6H3/b20-13-
InChIKey
IOAATRBNGTWDJB-MOSHPQCFSA-N
Synonyms

CCN1C(=C(C(=CC2=C(N(C(=C2)C)C3=CC=CC(=C3)C)C)C1=O)C(=O)OC)C
CCN1C(=O)C(=Cc2cc(n(c2C)c2cccc(c2)C)C)C(=C1C)C(=O)OC
InChI=1SC23H26N2O3c172417(5)21(23(27)286)20(22(24)26)13181215(3)25(16(18)4)19108914(2)1119h813H7H216H3b2013
METHYL(4Z)4((25DIMETHYL1(3METHYLPHENYL)1HPYRROL3YL)METHYLIDENE)1ETHYL2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((25DIMETHYL1(3METHYLPHENYL)PYRROL3YL)METHYLIDENE)1ETHYL2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03252411
ZINC000003651907
ZINC03651907
ZINC3651907

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Available files

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