Vitas-M small molecule compound
methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161540
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccccc1C(=O)OC)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 C28H26N2O5 MW 470.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O5/c1-17-15-20(18(2)29(17)24-14-10-9-13-22(24)27(32)34-4)16-23-25(28(33)35-5)19(3)30(26(23)31)21-11-7-6-8-12-21/h6-16H,1-5H3/b23-16-InChIKey
YFRSWTSLBKGPAY-KQWNVCNZSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)C=C3C(=C(N(C3=O)C4=CC=CC=C4)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccccc1C(=O)OC)C)c1ccccc1
InChI=1SC28H26N2O5c1171520(18(2)29(17)24141091322(24)27(32)344)162325(28(33)355)19(3)30(26(23)31)21117681221h616H15H3b2316
METHYL(4Z)4((1(2(METHOXYCARBONYL)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO1PHENYL45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(2METHOXYCARBONYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXO1PHENYLPYRROLE3CARBOXYLATE
METHYL2(3((4(METHOXYCARBONYL)5METHYL2OXO1PHENYLAZOLIN3YLIDENE)METHYL)25DIMETHYLPYRROLYL)BENZOATE
MFCD03261202
ZINC000004108910
ZINC04108910
ZINC4108910
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.