Vitas-M small molecule compound
ethyl (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK362246
SMILES CCOC(=O)C1=C(C)N/C(=C/c2ccc3c(c2)OCO3)/C1=O
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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 C16H15NO5 MW 301.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15NO5/c1-3-20-16(19)14-9(2)17-11(15(14)18)6-10-4-5-12-13(7-10)22-8-21-12/h4-7,17H,3,8H2,1-2H3/b11-6+InChIKey
BYGURZZFHWVLGS-IZZDOVSWSA-NSynonyms
CCOC(=O)C1=C(C)NC(=Cc2ccc3c(c2)OCO3)C1=O
CCOC(=O)C1=C(NC(=CC2=CC3=C(C=C2)OCO3)C1=O)C
ethyl(5E)5(13benzodioxol5ylmethylidene)2methyl4oxo1Hpyrrole3carboxylate
ETHYL(5E)5(13BENZODIOXOL5YLMETHYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
ETHYL2(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)5METHYL3OXOAZOLINE4CARBOXYLATE
InChI=1SC16H15NO5c132016(19)149(2)1711(15(14)18)610451213(710)2282112h4717H38H212H3b116+
MFCD01207746
ZINC000000112439
ZINC00112439
ZINC112439
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