Vitas-M small molecule compound
4-[1-(4-ethoxyphenyl)-6,7-dimethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
Catalog ID
STK075708
SMILES CCOc1ccc(cc1)C1N(c2ccc(cc2)C(=O)O)C(=O)Cc2c1cc(OC)c(c2)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 C26H25NO6 MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO6/c1-4-33-20-11-7-16(8-12-20)25-21-15-23(32-3)22(31-2)13-18(21)14-24(28)27(25)19-9-5-17(6-10-19)26(29)30/h5-13,15,25H,4,14H2,1-3H3,(H,29,30)InChIKey
ZSCNIRFZUMPJRC-UHFFFAOYSA-NSynonyms
326011-50-1326011501
4(1(4ETHOXYPHENYL)67DIMETHOXY3OXO14DIHYDROISOQUINOLIN2YL)BENZOICACID
4(1(4ETHOXYPHENYL)67DIMETHOXY3OXO34DIHYDROISOQUINOLIN2(1H)YL)BENZOICACID
CCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=C(C=C4)C(=O)O)OC)OC
CCOc1ccc(cc1)C1N(c2ccc(cc2)C(=O)O)C(=O)Cc2c1cc(OC)c(c2)OC
InChI=1SC26H25NO6c14332011716(81220)25211523(323)22(312)1318(21)1424(28)27(25)199517(61019)26(29)30h5131525H414H213H3(H2930)
MFCD02058777
STK075708
ZINC000002109390
ZINC000002109391
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