Vitas-M small molecule compound
ethyl (2Z)-2-[6-ethoxy-2,2-dimethyl-1-(naphthalen-1-ylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate
Catalog ID
STK320597
SMILES CCOC(=O)C1=C(S/C(=C/2\c3cc(OCC)ccc3N(C(C2=S)(C)C)C(=O)c2cccc3c2cccc3)/S1)c1ccccc1
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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 C36H31NO4S3 MW 637.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H31NO4S3/c1-5-40-24-19-20-28-27(21-24)29(35-43-30(23-14-8-7-9-15-23)31(44-35)34(39)41-6-2)32(42)36(3,4)37(28)33(38)26-18-12-16-22-13-10-11-17-25(22)26/h7-21H,5-6H2,1-4H3/b35-29-InChIKey
BICDURLXYXKAKI-MJPNWULPSA-NSynonyms
(Z)ethyl2(1(1naphthoyl)6ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
CCOC(=O)C1=C(SC(=C2c3cc(OCC)ccc3N(C(C2=S)(C)C)C(=O)c2cccc3c2cccc3)S1)c1ccccc1
CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)(C)C)C(=O)C5=CC=CC6=CC=CC=C65
ethyl(2Z)2(6ethoxy22dimethyl1(naphthalen1ylcarbonyl)3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
ETHYL(2Z)2(6ETHOXY22DIMETHYL1(NAPHTHALENE1CARBONYL)3SULFANYLIDENEQUINOLIN4YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
InChI=1SC36H31NO4S3c15402419202827(2124)29(354330(23148791523)31(4435)34(39)4162)32(42)36(34)37(28)33(38)26181216221310111725(22)26h721H56H214H3b3529
MFCD01068090
ZINC000097962235
ZINC97962235
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.