Vitas-M small molecule compound
ethyl 4-[6,7-diethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Catalog ID
STL015371
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)Cc2c(C1c1ccc(cc1)OC)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 C29H31NO6 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO6/c1-5-34-25-16-21-17-27(31)30(22-12-8-20(9-13-22)29(32)36-7-3)28(24(21)18-26(25)35-6-2)19-10-14-23(33-4)15-11-19/h8-16,18,28H,5-7,17H2,1-4H3InChIKey
CRDHEFCJGXPHHY-UHFFFAOYSA-NSynonyms
639005-51-9639005519
CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)OCC)C4=CC=C(C=C4)OC)OCC
ETHYL4(67DIETHOXY1(4METHOXYPHENYL)3OXO14DIHYDROISOQUINOLIN2YL)BENZOATE
ETHYL4(67DIETHOXY1(4METHOXYPHENYL)3OXO34DIHYDROISOQUINOLIN2(1H)YL)BENZOATE
InChI=1SC29H31NO6c15342516211727(31)30(2212820(91322)29(32)3673)28(24(21)1826(25)3562)19101423(334)151119h8161828H5717H214H3
MFCD03869798
ZINC000002103353
ZINC000002103355
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