Vitas-M small molecule compound

diethyl 2-(6-methoxy-2,2-dimethyl-1-pentanoyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK010687
SMILES CCCCC(=O)N1c2ccc(cc2/C(=C\2/SC(=C(S2)C(=O)OCC)C(=O)OCC)/C(=S)C1(C)C)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 C26H31NO6S3 MW 549.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO6S3/c1-7-10-11-18(28)27-17-13-12-15(31-6)14-16(17)19(22(34)26(27,4)5)25-35-20(23(29)32-8-2)21(36-25)24(30)33-9-3/h12-14H,7-11H2,1-6H3
InChIKey
BBMKLCYDKSXLCK-UHFFFAOYSA-N
Synonyms
331640-26-7
331640267
CCCCC(=O)N1C2=C(C=C(C=C2)OC)C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C
CCCCC(=O)N1c2ccc(cc2C(=C2SC(=C(S2)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C)OC
DIETHYL2(6METHOXY22DIMETHYL1PENTANOYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(6METHOXY22DIMETHYL1PENTANOYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC26H31NO6S3c17101118(28)2717131215(316)1416(17)19(22(34)26(274)5)253520(23(29)3282)21(3625)24(30)3393h1214H711H216H3
MFCD01156149
STK010687
ZINC000006471669
ZINC06471669
ZINC6471669

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Available files

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