Vitas-M small molecule compound

4-[1-(4-bromophenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid

Catalog ID
STL015385
SMILES CCOc1cc2c(cc1OCC)CC(=O)N(C2c1ccc(cc1)Br)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 C26H24BrNO5 MW 510.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrNO5/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
FNBFFVLFPHZTGP-UHFFFAOYSA-N
Synonyms
639005-74-6
4(1(4BROMOPHENYL)67DIETHOXY3OXO14DIHYDROISOQUINOLIN2YL)BENZOICACID
4(1(4bromophenyl)67diethoxy3oxo34dihydroisoquinolin2(1H)yl)benzoicacid
639005746
CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Br)OCC
InChI=1SC26H24BrNO5c13322213181424(29)28(2011717(81220)26(30)31)25(165919(27)10616)21(18)1523(22)3342h5131525H3414H212H3(H3031)
MFCD03869821
ZINC000002430744
ZINC000002430745

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Available files

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