Vitas-M small molecule compound
methyl 4-[1-(4-chlorophenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Catalog ID
STL015380
SMILES CCOc1cc2c(cc1OCC)CC(=O)N(C2c1ccc(cc1)Cl)c1ccc(cc1)C(=O)OC
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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 C27H26ClNO5 MW 479.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClNO5/c1-4-33-23-14-19-15-25(30)29(21-12-8-18(9-13-21)27(31)32-3)26(17-6-10-20(28)11-7-17)22(19)16-24(23)34-5-2/h6-14,16,26H,4-5,15H2,1-3H3InChIKey
QYAKQDXAJPJBIS-UHFFFAOYSA-NSynonyms
639005-66-6639005666
CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)OC)C4=CC=C(C=C4)Cl)OCC
InChI=1SC27H26ClNO5c14332314191525(30)29(2112818(91321)27(31)323)26(1761020(28)11717)22(19)1624(23)3452h6141626H4515H213H3
METHYL4(1(4CHLOROPHENYL)67DIETHOXY3OXO14DIHYDROISOQUINOLIN2YL)BENZOATE
methyl4(1(4chlorophenyl)67diethoxy3oxo34dihydroisoquinolin2(1H)yl)benzoate
MFCD03869813
ZINC000002420375
ZINC000002420376
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