Vitas-M small molecule compound
2-{[1-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}benzoic acid
Catalog ID
STK024655
SMILES COc1cc2c(cc1OC)CCN(C2c1ccc(cc1)Br)C(=O)c1ccccc1C(=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 C25H22BrNO5 MW 496.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrNO5/c1-31-21-13-16-11-12-27(24(28)18-5-3-4-6-19(18)25(29)30)23(20(16)14-22(21)32-2)15-7-9-17(26)10-8-15/h3-10,13-14,23H,11-12H2,1-2H3,(H,29,30)InChIKey
SAYVSOOBQWONOW-UHFFFAOYSA-NSynonyms
2((1(4BROMOPHENYL)67DIMETHOXY34DIHYDROISOQUINOLIN2(1H)YL)CARBONYL)BENZOICACID
2(1(4BROMOPHENYL)67DIMETHOXY34DIHYDRO1HISOQUINOLINE2CARBONYL)BENZOICACID
COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=CC=C3C(=O)O)C4=CC=C(C=C4)Br)OC
COc1cc2c(cc1OC)CCN(C2c1ccc(cc1)Br)C(=O)c1ccccc1C(=O)O
InChI=1SC25H22BrNO5c131211316111227(24(28)18534619(18)25(29)30)23(20(16)1422(21)322)157917(26)10815h310131423H1112H212H3(H2930)
MFCD02641039
STK024655
ZINC000013139023
ZINC000013139024
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