Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-2-({[4-(2-methylpropoxy)phenyl]carbonyl}amino)prop-2-enoic acid
Catalog ID
STL513109
SMILES CC(COc1ccc(cc1)C(=O)N/C(=C/c1ccc2c(c1)OCO2)/C(=O)O)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 C21H21NO6 MW 383.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO6/c1-13(2)11-26-16-6-4-15(5-7-16)20(23)22-17(21(24)25)9-14-3-8-18-19(10-14)28-12-27-18/h3-10,13H,11-12H2,1-2H3,(H,22,23)(H,24,25)/b17-9+InChIKey
XILQAKHRDQLJSJ-RQZCQDPDSA-NSynonyms
(~(E))3(13benzodioxol5yl)2((4(2methylpropoxy)benzoyl)amino)prop2enoicacid
(2E)3(13benzodioxol5yl)2(((4(2methylpropoxy)phenyl)carbonyl)amino)prop2enoicacid
(2E)3(2HBENZO(34D)13DIOXOLAN5YL)2((4(2METHYLPROPOXY)PHENYL)CARBONYLAMINO)PROP2ENOICACID
(E)3(13BENZODIOXOL5YL)2((4(2METHYLPROPOXY)BENZOYL)AMINO)PROP2ENOICACID
(E)3(benzo(d)(13)dioxol5yl)2(4isobutoxybenzamido)acrylicacid
1753590
374701709
3BENZO(13)DIOXOL5YL2(4ISOBUTOXYBENZOYLAMINO)ACRYLICACID
CC(COc1ccc(cc1)C(=O)NC(=Cc1ccc2c(c1)OCO2)C(=O)O)C
InChI=1SC21H21NO6c113(2)1126166415(5716)20(23)2217(21(24)25)914381819(1014)28122718h31013H1112H212H3(H2223)(H2425)b179+
MFCD00558622
ZINC000000877335
ZINC877335
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