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Vitas-M small molecule compound

S-{2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl} O-ethyl carbonodithioate

Catalog ID
STL324134
SMILES CCOC(=S)SCC(=O)N1CCc2c(C1C1C(=O)CC(CC1=O)(C)C)cc(c(c2)OC)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 C24H31NO6S2 MW 493.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO6S2/c1-6-31-23(32)33-13-20(28)25-8-7-14-9-18(29-4)19(30-5)10-15(14)22(25)21-16(26)11-24(2,3)12-17(21)27/h9-10,21-22H,6-8,11-13H2,1-5H3
InChIKey
HUAUMGSHOHXIJU-UHFFFAOYSA-N
Synonyms
327170-84-3
((2(1(26DIKETO44DIMETHYLCYCLOHEXYL)67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)2KETOETHYL)THIO)METHANETHIOICACIDOETHYLESTER
((2(1(44DIMETHYL26DIOXOCYCLOHEXYL)67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)THIO)METHANETHIOICACIDOETHYLESTER
327170843
CCOC(=S)SCC(=O)N1CCC2=CC(=C(C=C2C1C3C(=O)CC(CC3=O)(C)C)OC)OC
DITHIOCARBONICACID(2(1(44DIMETHYL26DIOXOCYCLOHEXYL)67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)ESTERETHYLESTER
InChI=1SC24H31NO6S2c163123(32)331320(28)258714918(294)19(305)1015(14)22(25)2116(26)1124(23)1217(21)27h9102122H681113H215H3
OETHYL(2(1(44DIMETHYL26BIS(OXIDANYLIDENE)CYCLOHEXYL)67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)2OXIDANYLIDENEETHYL)SULFANYLMETHANETHIOATE
OETHYL(2(1(44DIMETHYL26DIOXOCYCLOHEXYL)67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)SULFANYLMETHANETHIOATE
S(2(1(44DIMETHYL26DIOXOCYCLOHEXYL)67DIMETHOXY34DIHYDROISOQUINOLIN2(1H)YL)2OXOETHYL)OETHYLCARBONODITHIOATE
S(2(1(44DIMETHYL26DIOXOCYCLOHEXYL)67DIMETHOXY34DIHYDROISOQUINOLIN2(1H)YL)2OXOETHYL)OETHYLDITHIOCARBONATE

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Available files

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