Vitas-M small molecule compound
dimethyl 2-{1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789903
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)cc(c3N(C(C2=S)(C)C)C(=O)CN2C(=O)c3c(C2=O)cccc3)C)/S1)C(=O)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 C30H26N2O7S3 MW 622.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O7S3/c1-14-11-15(2)21-18(12-14)20(29-41-22(27(36)38-5)23(42-29)28(37)39-6)24(40)30(3,4)32(21)19(33)13-31-25(34)16-9-7-8-10-17(16)26(31)35/h7-12H,13H2,1-6H3InChIKey
DCQTVSUEDLYQSN-UHFFFAOYSA-NSynonyms
CC1=CC(=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CN4C(=O)C5=CC=CC=C5C4=O)(C)C)C
dimethyl2(1((13dioxo13dihydro2Hisoindol2yl)acetyl)2268tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(13dioxoisoindol2yl)acetyl)2268tetramethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(13dioxoisoindolin2yl)acetyl)2268tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC30H26N2O7S3c1141115(2)2118(1214)20(294122(27(36)385)23(4229)28(37)396)24(40)30(34)32(21)19(33)133125(34)169781017(16)26(31)35h712H13H216H3
MFCD02127773
ZINC000102785762
ZINC102785762
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