Vitas-M small molecule compound
methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1,2-dimethyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160077
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc2c(c1)OCO2)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 C16H15NO5 MW 301.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15NO5/c1-9-14(16(19)20-3)11(15(18)17(9)2)6-10-4-5-12-13(7-10)22-8-21-12/h4-7H,8H2,1-3H3/b11-6-InChIKey
WXBIQDUBLSNKEE-WDZFZDKYSA-NSynonyms
CC1=C(C(=CC2=CC3=C(C=C2)OCO3)C(=O)N1C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc2c(c1)OCO2)C
InChI=1SC16H15NO5c1914(16(19)203)11(15(18)17(9)2)610451213(710)2282112h47H8H213H3b116
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)12DIMETHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)12DIMETHYL5OXOPYRROLE3CARBOXYLATE
METHYL3(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)15DIMETHYL2OXOAZOLINE4CARBOXYLATE
MFCD02216594
ZINC000000037628
ZINC00037628
ZINC37628
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