Vitas-M small molecule compound
methyl (5E)-1-(4-chlorophenyl)-5-{[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK169293
SMILES COC(=O)C1=C(C)N(/C(=C/c2cc(n(c2C)c2ccc(cc2C)C)C)/C1=O)c1ccc(cc1)Cl
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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 C28H27ClN2O3 MW 474.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O3/c1-16-7-12-24(17(2)13-16)30-18(3)14-21(19(30)4)15-25-27(32)26(28(33)34-6)20(5)31(25)23-10-8-22(29)9-11-23/h7-15H,1-6H3/b25-15+InChIKey
BOUIDUIIESQPKO-MFKUBSTISA-NSynonyms
CC1=CC(=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)C(=C(N3C4=CC=C(C=C4)Cl)C)C(=O)OC)C)C
COC(=O)C1=C(C)N(C(=Cc2cc(n(c2C)c2ccc(cc2C)C)C)C1=O)c1ccc(cc1)Cl
InChI=1SC28H27ClN2O3c11671224(17(2)1316)3018(3)1421(19(30)4)152527(32)26(28(33)346)20(5)31(25)2310822(29)91123h715H16H3b2515+
METHYL(5E)1(4CHLOROPHENYL)5((1(24DIMETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(5E)1(4CHLOROPHENYL)5((1(24DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL4OXOPYRROLE3CARBOXYLATE
MFCD02623662
ZINC000009846985
ZINC09846985
ZINC9846985
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