Vitas-M small molecule compound

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

Catalog ID
STK554411
SMILES CCOC(=S)SCC(=O)N1CCc2c(C1C1C(=O)CC(CC1=O)(C)C)cccc2

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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 C22H27NO4S2 MW 433.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4S2/c1-4-27-21(28)29-13-18(26)23-10-9-14-7-5-6-8-15(14)20(23)19-16(24)11-22(2,3)12-17(19)25/h5-8,19-20H,4,9-13H2,1-3H3
InChIKey
UWHUITWCFHXLCH-UHFFFAOYSA-N
Synonyms
372181-17-4
372181174
CCOC(=S)SCC(=O)N1CCC2=CC=CC=C2C1C3C(=O)CC(CC3=O)(C)C
DITHIOCARBONICACID(2(1(44DIMETHYL26DIOXOCYCLOHEXYL)34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)ESTERETHYLESTER
InChI=1SC22H27NO4S2c142721(28)291318(26)2310914756815(14)20(23)1916(24)1122(23)1217(19)25h581920H4913H213H3
MFCD01217791
OETHYL(2(1(44DIMETHYL26DIOXOCYCLOHEXYL)34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)SULFANYLMETHANETHIOATE
S(2(1(44DIMETHYL26DIOXOCYCLOHEXYL)34DIHYDRO2(1H)ISOQUINOLINYL)2OXOETHYL)OETHYLDITHIOCARBONATE
S(2(1(44dimethyl26dioxocyclohexyl)34dihydroisoquinolin2(1H)yl)2oxoethyl)Oethylcarbonodithioate
ZINC000101028675
ZINC000101028676

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Available files

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