Vitas-M small molecule compound
4-[6,7-diethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
Catalog ID
STK122958
SMILES CCOc1cc2c(cc1OCC)CC(=O)N(C2c1ccc(cc1)OC)c1ccc(cc1)C(=O)O
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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 C27H27NO6 MW 461.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO6/c1-4-33-23-14-19-15-25(29)28(20-10-6-18(7-11-20)27(30)31)26(22(19)16-24(23)34-5-2)17-8-12-21(32-3)13-9-17/h6-14,16,26H,4-5,15H2,1-3H3,(H,30,31)InChIKey
DDUXLSHPLFYPDL-UHFFFAOYSA-NSynonyms
639005-49-54(67DIETHOXY1(4METHOXYPHENYL)3OXO14DIHYDROISOQUINOLIN2YL)BENZOICACID
4(67DIETHOXY1(4METHOXYPHENYL)3OXO34DIHYDROISOQUINOLIN2(1H)YL)BENZOICACID
639005495
CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)OC)OCC
InChI=1SC27H27NO6c14332314191525(29)28(2010618(71120)27(30)31)26(22(19)1624(23)3452)1781221(323)13917h6141626H4515H213H3(H3031)
MFCD03869796
ZINC000002104025
ZINC000002104027
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