Vitas-M small molecule compound
methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168463
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc2c(c1)OCO2)CCc1ccccc1
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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/c1-15-21(23(26)27-2)18(12-17-8-9-19-20(13-17)29-14-28-19)22(25)24(15)11-10-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14H2,1-2H3/b18-12-InChIKey
YQVLJBBFRVYEBR-PDGQHHTCSA-NSynonyms
CC1=C(C(=CC2=CC3=C(C=C2)OCO3)C(=O)N1CCC4=CC=CC=C4)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc2c(c1)OCO2)CCc1ccccc1
InChI=1SC23H21NO5c11521(23(26)272)18(1217891920(1317)29142819)22(25)24(15)1110166435716h391213H101114H212H3b1812
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)2METHYL5OXO1(2PHENYLETHYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
methyl(4Z)4(13benzodioxol5ylmethylidene)2methyl5oxo1(2phenylethyl)pyrrole3carboxylate
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)2METHYL5OXO1PHENETHYLPYRROLE3CARBOXYLATE
MFCD03269836
ZINC000000660208
ZINC00660208
ZINC660208
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