Vitas-M small molecule compound
dimethyl 5-{[(1E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-1-yl]amino}benzene-1,3-dicarboxylate
Catalog ID
STK902263
SMILES COC(=O)c1cc(N/C=C/C(=O)c2ccc3c(c2)OCO3)cc(c1)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 C20H17NO7 MW 383.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO7/c1-25-19(23)13-7-14(20(24)26-2)9-15(8-13)21-6-5-16(22)12-3-4-17-18(10-12)28-11-27-17/h3-10,21H,11H2,1-2H3/b6-5+InChIKey
WUZHUXRJKNOFED-AATRIKPKSA-NSynonyms
COC(=O)C1=CC(=CC(=C1)NC=CC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC
COC(=O)c1cc(NC=CC(=O)c2ccc3c(c2)OCO3)cc(c1)C(=O)OC
dimethyl5(((1E)3(13benzodioxol5yl)3oxoprop1en1yl)amino)benzene13dicarboxylate
dimethyl5(((E)3(13benzodioxol5yl)3oxoprop1enyl)amino)benzene13dicarboxylate
InChI=1SC20H17NO7c12519(23)13714(20(24)262)915(813)216516(22)12341718(1012)28112717h31021H11H212H3b65+
MFCD18174789
ZINC000044842569
ZINC44842569
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