Vitas-M small molecule compound
methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(3,5-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160470
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc2c(c1)OCO2)c1cc(C)cc(c1)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 C23H21NO5 MW 391.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO5/c1-13-7-14(2)9-17(8-13)24-15(3)21(23(26)27-4)18(22(24)25)10-16-5-6-19-20(11-16)29-12-28-19/h5-11H,12H2,1-4H3/b18-10-InChIKey
BGGIEISHQIWAFQ-ZDLGFXPLSA-NSynonyms
CC1=CC(=CC(=C1)N2C(=C(C(=CC3=CC4=C(C=C3)OCO4)C2=O)C(=O)OC)C)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc2c(c1)OCO2)c1cc(C)cc(c1)C
InChI=1SC23H21NO5c113714(2)917(813)2415(3)21(23(26)274)18(22(24)25)1016561920(1116)29122819h511H12H214H3b1810
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)1(35DIMETHYLPHENYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)1(35DIMETHYLPHENYL)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03272211
ZINC000000638318
ZINC00638318
ZINC638318
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