Vitas-M small molecule compound
dimethyl 2-{1-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK061552
SMILES CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)CN1C(=O)C2C(C1=O)CCCC2)(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 C30H32N2O8S3 MW 644.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O8S3/c1-6-40-15-11-12-19-18(13-15)21(29-42-22(27(36)38-4)23(43-29)28(37)39-5)24(41)30(2,3)32(19)20(33)14-31-25(34)16-9-7-8-10-17(16)26(31)35/h11-13,16-17H,6-10,14H2,1-5H3InChIKey
ZUTQPMBLKAMTSD-UHFFFAOYSA-NSynonyms
CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)CN4C(=O)C5CCCCC5C4=O
DIMETHYL2(1((13DIOXOOCTAHYDRO2HISOINDOL2YL)ACETYL)6ETHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(13dioxo3a45677ahexahydroisoindol2yl)acetyl)6ethoxy22dimethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(13dioxohexahydro1Hisoindol2(3H)yl)acetyl)6ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC30H32N2O8S3c16401511121918(1315)21(294222(27(36)384)23(4329)28(37)395)24(41)30(23)32(19)20(33)143125(34)169781017(16)26(31)35h11131617H61014H215H3
MFCD01852653
STK061552
ZINC000097999454
ZINC000150437620
Check stock
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Check stock on Vitas-MAvailable files
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