Vitas-M small molecule compound
methyl (4Z)-1-(3-chloro-4-methylphenyl)-4-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK078106
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(cc1)OC)C)c1ccc(c(c1)Cl)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 C28H27ClN2O4 MW 490.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O4/c1-16-7-8-22(15-25(16)29)31-19(4)26(28(33)35-6)24(27(31)32)14-20-13-17(2)30(18(20)3)21-9-11-23(34-5)12-10-21/h7-15H,1-6H3/b24-14-InChIKey
QZZXFRXVCBAIKM-OYKKKHCWSA-NSynonyms
CC1=C(C=C(C=C1)N2C(=C(C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)OC)C)C2=O)C(=O)OC)C)Cl
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(cc1)OC)C)c1ccc(c(c1)Cl)C
InChI=1SC28H27ClN2O4c1167822(1525(16)29)3119(4)26(28(33)356)24(27(31)32)14201317(2)30(18(20)3)2191123(345)121021h715H16H3b2414
METHYL(4Z)1(3CHLORO4METHYLPHENYL)4((1(4METHOXYPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(3CHLORO4METHYLPHENYL)4((1(4METHOXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD08671282
STK078106
ZINC000009635935
ZINC09635935
ZINC9635935
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.