Vitas-M small molecule compound
methyl (4Z)-4-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-methoxybenzyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168568
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1cccc(c1)Cl)C)Cc1ccc(cc1)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 C28H27ClN2O4 MW 490.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O4/c1-17-13-21(18(2)31(17)23-8-6-7-22(29)15-23)14-25-26(28(33)35-5)19(3)30(27(25)32)16-20-9-11-24(34-4)12-10-20/h6-15H,16H2,1-5H3/b25-14-InChIKey
XQXANIWFLRYFBJ-QFEZKATASA-NSynonyms
CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)C=C3C(=C(N(C3=O)CC4=CC=C(C=C4)OC)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1cccc(c1)Cl)C)Cc1ccc(cc1)OC
InChI=1SC28H27ClN2O4c1171321(18(2)31(17)2386722(29)1523)142526(28(33)355)19(3)30(27(25)32)162091124(344)121020h615H16H215H3b2514
METHYL(4Z)4((1(3CHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(4METHOXYBENZYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(3CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1((4METHOXYPHENYL)METHYL)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL4((1(3CHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)1(4METHOXYBENZYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD02954483
ZINC000014010601
ZINC14010601
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.