Vitas-M small molecule compound
2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl pyrrolidine-1-carbodithioate
Catalog ID
STL323752
SMILES COc1cc2c(cc1OC)CCN(C2C1C(=O)CC(CC1=O)(C)C)C(=O)CSC(=S)N1CCCC1
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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 C26H34N2O5S2 MW 518.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O5S2/c1-26(2)13-18(29)23(19(30)14-26)24-17-12-21(33-4)20(32-3)11-16(17)7-10-28(24)22(31)15-35-25(34)27-8-5-6-9-27/h11-12,23-24H,5-10,13-15H2,1-4H3InChIKey
IFHKUJJUPUTTRQ-UHFFFAOYSA-NSynonyms
370076-23-6(2(1(44DIMETHYL26DIOXOCYCLOHEXYL)67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)PYRROLIDINE1CARBODITHIOATE
2(1(44DIMETHYL26DIOXOCYCLOHEXYL)67DIMETHOXY34DIHYDROISOQUINOLIN2(1H)YL)2OXOETHYLPYRROLIDINE1CARBODITHIOATE
370076236
CC1(CC(=O)C(C(=O)C1)C2C3=CC(=C(C=C3CCN2C(=O)CSC(=S)N4CCCC4)OC)OC)C
InChI=1SC26H34N2O5S2c126(2)1318(29)23(19(30)1426)24171221(334)20(323)1116(17)71028(24)22(31)153525(34)27856927h11122324H5101315H214H3
MFCD01557239
ZINC000100686054
ZINC000100686057
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