Vitas-M small molecule compound
methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-1-(4-methylbenzyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160062
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc2c(c1)OCO2)Cc1ccc(cc1)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/c1-14-4-6-16(7-5-14)12-24-15(2)21(23(26)27-3)18(22(24)25)10-17-8-9-19-20(11-17)29-13-28-19/h4-11H,12-13H2,1-3H3/b18-10-InChIKey
YRZPNULKQNAGAT-ZDLGFXPLSA-NSynonyms
CC1=CC=C(C=C1)CN2C(=C(C(=CC3=CC4=C(C=C3)OCO4)C2=O)C(=O)OC)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc2c(c1)OCO2)Cc1ccc(cc1)C
InChI=1SC23H21NO5c1144616(7514)122415(2)21(23(26)273)18(22(24)25)1017891920(1117)29132819h411H1213H213H3b1810
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)2METHYL1((4METHYLPHENYL)METHYL)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)2METHYL1(4METHYLBENZYL)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL3(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)5METHYL1((4METHYLPHENYL)METHYL)2OXOAZOLINE4CARBOXYLATE
MFCD02920702
ZINC000004525709
ZINC04525709
ZINC4525709
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