Vitas-M small molecule compound
methyl (4Z)-4-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168531
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(cc1)Cl)C)c1ccc(cc1)C
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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 C27H25ClN2O3 MW 460.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O3/c1-16-6-10-23(11-7-16)30-19(4)25(27(32)33-5)24(26(30)31)15-20-14-17(2)29(18(20)3)22-12-8-21(28)9-13-22/h6-15H,1-5H3/b24-15-InChIKey
CWXSMSQKUSUGAE-IWIPYMOSSA-NSynonyms
CC1=CC=C(C=C1)N2C(=C(C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)Cl)C)C2=O)C(=O)OC)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(cc1)Cl)C)c1ccc(cc1)C
InChI=1SC27H25ClN2O3c11661023(11716)3019(4)25(27(32)335)24(26(30)31)15201417(2)29(18(20)3)2212821(28)91322h615H15H3b2415
METHYL(4Z)4((1(4CHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL1(4METHYLPHENYL)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(4CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL1(4METHYLPHENYL)5OXOPYRROLE3CARBOXYLATE
METHYL4((1(4CHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)2METHYL1(4METHYLPHENYL)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD02951501
ZINC000000680463
ZINC00680463
ZINC680463
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.