Vitas-M small molecule compound
ethyl 4-[1-(4-chlorophenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Catalog ID
STL015381
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)Cc2c(C1c1ccc(cc1)Cl)cc(c(c2)OCC)OCC
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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 C28H28ClNO5 MW 493.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClNO5/c1-4-33-24-15-20-16-26(31)30(22-13-9-19(10-14-22)28(32)35-6-3)27(18-7-11-21(29)12-8-18)23(20)17-25(24)34-5-2/h7-15,17,27H,4-6,16H2,1-3H3InChIKey
KLOSEVUUKBUPHG-UHFFFAOYSA-NSynonyms
639005-67-7639005677
CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)OCC)C4=CC=C(C=C4)Cl)OCC
ETHYL4(1(4CHLOROPHENYL)67DIETHOXY3OXO14DIHYDROISOQUINOLIN2YL)BENZOATE
ethyl4(1(4chlorophenyl)67diethoxy3oxo34dihydroisoquinolin2(1H)yl)benzoate
InChI=1SC28H28ClNO5c14332415201626(31)30(2213919(101422)28(32)3563)27(1871121(29)12818)23(20)1725(24)3452h7151727H4616H213H3
MFCD03869814
ZINC000002345809
ZINC000002345811
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