Vitas-M small molecule compound
2-[(E)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylic acid
Catalog ID
STK694602
SMILES COc1c(/C=C/c2nc3ccccc3c(c2)C(=O)O)cc(c2c1OCO2)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 C21H17NO6 MW 379.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO6/c1-25-17-9-12(18(26-2)20-19(17)27-11-28-20)7-8-13-10-15(21(23)24)14-5-3-4-6-16(14)22-13/h3-10H,11H2,1-2H3,(H,23,24)/b8-7+InChIKey
SSBSRCKVAPPNHE-BQYQJAHWSA-NSynonyms
2((E)2(47dimethoxy13benzodioxol5yl)ethenyl)quinoline4carboxylicacid
COC1=C2C(=C(C(=C1)C=CC3=NC4=CC=CC=C4C(=C3)C(=O)O)OC)OCO2
COc1c(C=Cc2nc3ccccc3c(c2)C(=O)O)cc(c2c1OCO2)OC
InChI=1SC21H17NO6c12517912(18(262)2019(17)27112820)78131015(21(23)24)14534616(14)2213h310H11H212H3(H2324)b87+
MFCD12034770
ZINC000035324997
ZINC35324997
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