Vitas-M small molecule compound
dimethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK089002
SMILES CCCC(=O)N1c2ccc(cc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)C)OCC
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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 C24H27NO6S3 MW 521.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO6S3/c1-7-9-16(26)25-15-11-10-13(31-8-2)12-14(15)17(20(32)24(25,3)4)23-33-18(21(27)29-5)19(34-23)22(28)30-6/h10-12H,7-9H2,1-6H3InChIKey
XPGPHFVGYGLCFE-UHFFFAOYSA-NSynonyms
327168-23-0327168230
CCCC(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C
CCCC(=O)N1c2ccc(cc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C)OCC
DIMETHYL2(1BUTANOYL6ETHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1BUTANOYL6ETHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1BUTYRYL6ETHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC24H27NO6S3c17916(26)2515111013(3182)1214(15)17(20(32)24(253)4)233318(21(27)295)19(3423)22(28)306h1012H79H216H3
METHYL2(1BUTANOYL6ETHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00808932
STK089002
ZINC000008396972
ZINC08396972
ZINC8396972
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