Vitas-M small molecule compound
4-[1-(4-chlorophenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid
Catalog ID
STL015379
SMILES CCOc1cc2c(cc1OCC)CC(=O)N(C2c1ccc(cc1)Cl)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 C26H24ClNO5 MW 465.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClNO5/c1-3-32-22-13-18-14-24(29)28(20-11-7-17(8-12-20)26(30)31)25(16-5-9-19(27)10-6-16)21(18)15-23(22)33-4-2/h5-13,15,25H,3-4,14H2,1-2H3,(H,30,31)InChIKey
ZNVZGOQFEJBDFR-UHFFFAOYSA-NSynonyms
639005-65-54(1(4CHLOROPHENYL)67DIETHOXY3OXO14DIHYDROISOQUINOLIN2YL)BENZOICACID
4(1(4chlorophenyl)67diethoxy3oxo34dihydroisoquinolin2(1H)yl)benzoicacid
639005655
CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl)OCC
InChI=1SC26H24ClNO5c13322213181424(29)28(2011717(81220)26(30)31)25(165919(27)10616)21(18)1523(22)3342h5131525H3414H212H3(H3031)
MFCD03869812
ZINC000002426139
ZINC000002426140
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