Vitas-M small molecule compound

dimethyl 2-{1-[(2,5-dioxopyrrolidin-1-yl)acetyl]-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK049308
SMILES CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)CN1C(=O)CCC1=O)(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 C26H26N2O8S3 MW 590.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O8S3/c1-6-36-13-7-8-15-14(11-13)19(25-38-20(23(32)34-4)21(39-25)24(33)35-5)22(37)26(2,3)28(15)18(31)12-27-16(29)9-10-17(27)30/h7-8,11H,6,9-10,12H2,1-5H3
InChIKey
OKPAAODBFWZOEU-UHFFFAOYSA-N
Synonyms

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)CCC4=O
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CN1C(=O)CCC1=O)(C)C
DIMETHYL2(1((25DIOXOPYRROLIDIN1YL)ACETYL)6ETHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2(25DIOXOPYRROLIDIN1YL)ACETYL)6ETHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(25dioxopyrrolidin1yl)acetyl)6ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC26H26N2O8S3c163613781514(1113)19(253820(23(32)344)21(3925)24(33)355)22(37)26(23)28(15)18(31)122716(29)91017(27)30h7811H691012H215H3
METHYL2(1(2(25DIOXOAZOLIDINYL)ACETYL)6ETHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01068161
STK049308
ZINC000006631048
ZINC6631048

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Available files

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