Vitas-M small molecule compound
2-(4-bromophenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3(2H)-one
Catalog ID
STL015377
SMILES CCOc1cc2c(cc1OCC)CC(=O)N(C2c1ccc(cc1)Cl)c1ccc(cc1)Br
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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 C25H23BrClNO3 MW 500.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrClNO3/c1-3-30-22-13-17-14-24(29)28(20-11-7-18(26)8-12-20)25(16-5-9-19(27)10-6-16)21(17)15-23(22)31-4-2/h5-13,15,25H,3-4,14H2,1-2H3InChIKey
CQCLCGCPLLZKLU-UHFFFAOYSA-NSynonyms
639005-63-32(4bromophenyl)1(4chlorophenyl)67diethoxy12dihydroisoquinolin3(4H)one
2(4bromophenyl)1(4chlorophenyl)67diethoxy14dihydroisoquinolin3(2H)one
2(4BROMOPHENYL)1(4CHLOROPHENYL)67DIETHOXY14DIHYDROISOQUINOLIN3ONE
639005633
CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl)OCC
InChI=1SC25H23BrClNO3c13302213171424(29)28(2011718(26)81220)25(165919(27)10616)21(17)1523(22)3142h5131525H3414H212H3
MFCD03869810
ZINC000002436240
ZINC000002436241
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