Vitas-M small molecule compound
methyl 3-{[(1E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-1-yl]amino}-4,5-diethoxybenzoate
Catalog ID
STK902264
SMILES CCOc1c(N/C=C/C(=O)c2ccc3c(c2)OCO3)cc(cc1OCC)C(=O)OC
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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 C22H23NO7 MW 413.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO7/c1-4-27-20-12-15(22(25)26-3)10-16(21(20)28-5-2)23-9-8-17(24)14-6-7-18-19(11-14)30-13-29-18/h6-12,23H,4-5,13H2,1-3H3/b9-8+InChIKey
WAXATVOYHTXQSB-CMDGGOBGSA-NSynonyms
CCOC1=CC(=CC(=C1OCC)NC=CC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC
CCOc1c(NC=CC(=O)c2ccc3c(c2)OCO3)cc(cc1OCC)C(=O)OC
InChI=1SC22H23NO7c1427201215(22(25)263)1016(21(20)2852)239817(24)14671819(1114)30132918h61223H4513H213H3b98+
methyl3(((1E)3(13benzodioxol5yl)3oxoprop1en1yl)amino)45diethoxybenzoate
methyl3(((E)3(13benzodioxol5yl)3oxoprop1enyl)amino)45diethoxybenzoate
MFCD18174790
ZINC000044842574
ZINC44842574
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