Vitas-M small molecule compound
methyl 4-{[(1E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-1-yl]amino}benzoate
Catalog ID
STK902259
SMILES COC(=O)c1ccc(cc1)N/C=C/C(=O)c1ccc2c(c1)OCO2
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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 C18H15NO5 MW 325.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15NO5/c1-22-18(21)12-2-5-14(6-3-12)19-9-8-15(20)13-4-7-16-17(10-13)24-11-23-16/h2-10,19H,11H2,1H3/b9-8+InChIKey
SXMFUIDYFDOFBW-CMDGGOBGSA-NSynonyms
COC(=O)C1=CC=C(C=C1)NC=CC(=O)C2=CC3=C(C=C2)OCO3
COC(=O)c1ccc(cc1)NC=CC(=O)c1ccc2c(c1)OCO2
InChI=1SC18H15NO5c12218(21)122514(6312)199815(20)13471617(1013)24112316h21019H11H21H3b98+
methyl4(((1E)3(13benzodioxol5yl)3oxoprop1en1yl)amino)benzoate
METHYL4(((E)3(13BENZODIOXOL5YL)3OXOPROP1ENYL)AMINO)BENZOATE
MFCD18174785
ZINC000004905364
ZINC4905364
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