Vitas-M small molecule compound
methyl (4Z)-4-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168537
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)C)C)C)c1ccccc1
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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 C28H28N2O3 MW 440.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O3/c1-17-12-13-24(14-18(17)2)29-19(3)15-22(20(29)4)16-25-26(28(32)33-6)21(5)30(27(25)31)23-10-8-7-9-11-23/h7-16H,1-6H3/b25-16-InChIKey
JMSLRTAKOIUHQT-XYGWBWBKSA-NSynonyms
CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)C4=CC=CC=C4)C)C(=O)OC)C)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(c(c1)C)C)C)c1ccccc1
InChI=1SC28H28N2O3c117121324(1418(17)2)2919(3)1522(20(29)4)162526(28(32)336)21(5)30(27(25)31)23108791123h716H16H3b2516
METHYL(4Z)4((1(34DIMETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO1PHENYL45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(34DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXO1PHENYLPYRROLE3CARBOXYLATE
METHYL4((1(34DIMETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)2METHYL5OXO1PHENYL45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD02951506
ZINC000014010541
ZINC14010541
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.