Vitas-M small molecule compound
2-[2-oxo-2-(4,4,7-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK050548
SMILES Cc1ccc2c(c1)N(C(=O)Cn1c(=O)c3cccc4c3c(c1=O)ccc4)C(c1c2c(=S)ss1)(C)C
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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 C27H20N2O3S3 MW 516.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O3S3/c1-14-10-11-16-19(12-14)29(27(2,3)23-22(16)26(33)35-34-23)20(30)13-28-24(31)17-8-4-6-15-7-5-9-18(21(15)17)25(28)32/h4-12H,13H2,1-3H3InChIKey
TXMMPVQKLIUIKB-UHFFFAOYSA-NSynonyms
331973-51-42(2OXO2(447TRIMETHYL1SULFANYLIDENEDITHIOLO(34C)QUINOLIN5YL)ETHYL)BENZO(DE)ISOQUINOLINE13DIONE
2(2OXO2(447TRIMETHYL1THIOXO14DIHYDRO5H(12)DITHIOLO(34C)QUINOLIN5YL)ETHYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
2(2oxo2(447trimethyl1thioxo1H(12)dithiolo(34c)quinolin5(4H)yl)ethyl)1Hbenzo(de)isoquinoline13(2H)dione
331973514
CC1=CC2=C(C=C1)C3=C(C(N2C(=O)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O)(C)C)SSC3=S
Cc1ccc2c(c1)N(C(=O)Cn1c(=O)c3cccc4c3c(c1=O)ccc4)C(c1c2c(=S)ss1)(C)C
InChI=1SC27H20N2O3S3c11410111619(1214)29(27(23)2322(16)26(33)353423)20(30)132824(31)178461575918(21(15)17)25(28)32h412H13H213H3
MFCD01137978
STK050548
ZINC000008425638
ZINC08425638
ZINC8425638
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.