Vitas-M small molecule compound
2-[6,7-dimethoxy-1-(4-methyl-2,6-dioxocyclohexyl)-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl pyrrolidine-1-carbodithioate
Catalog ID
STL324342
SMILES COc1cc2c(cc1OC)CCN(C2C1C(=O)CC(CC1=O)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 C25H32N2O5S2 MW 504.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2O5S2/c1-15-10-18(28)23(19(29)11-15)24-17-13-21(32-3)20(31-2)12-16(17)6-9-27(24)22(30)14-34-25(33)26-7-4-5-8-26/h12-13,15,23-24H,4-11,14H2,1-3H3InChIKey
QJTFUUUGDVJYSA-UHFFFAOYSA-NSynonyms
459791-24-3(2(67DIMETHOXY1(4METHYL26DIOXOCYCLOHEXYL)34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)PYRROLIDINE1CARBODITHIOATE
2(67DIMETHOXY1(4METHYL26DIOXOCYCLOHEXYL)34DIHYDROISOQUINOLIN2(1H)YL)2OXOETHYLPYRROLIDINE1CARBODITHIOATE
459791243
CC1CC(=O)C(C(=O)C1)C2C3=CC(=C(C=C3CCN2C(=O)CSC(=S)N4CCCC4)OC)OC
InChI=1SC25H32N2O5S2c1151018(28)23(19(29)1115)24171321(323)20(312)1216(17)6927(24)22(30)143425(33)26745826h1213152324H41114H213H3
MFCD01558237
ZINC000100690339
ZINC000100690341
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