Vitas-M small molecule compound
dimethyl 2-[1-(biphenyl-2-ylcarbonyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK027959
SMILES COC(=O)C1=C(S/C(=C/2\c3ccc(cc3N(C(C2=S)(C)C)C(=O)c2ccccc2c2ccccc2)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 C32H27NO5S3 MW 601.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27NO5S3/c1-18-15-16-22-23(17-18)33(28(34)21-14-10-9-13-20(21)19-11-7-6-8-12-19)32(2,3)27(39)24(22)31-40-25(29(35)37-4)26(41-31)30(36)38-5/h6-17H,1-5H3InChIKey
JQHZJYXPCLZUHZ-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C4=CC=CC=C4C5=CC=CC=C5)(C)C
COC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)c2ccccc2c2ccccc2)C)S1)C(=O)OC
dimethyl2(1((11biphenyl)2carbonyl)227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(BIPHENYL2YLCARBONYL)227TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(227TRIMETHYL1(2PHENYLBENZOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC32H27NO5S3c11815162223(1718)33(28(34)21141091320(21)19117681219)32(23)27(39)24(22)314025(29(35)374)26(4131)30(36)385h617H15H3
METHYL5(METHOXYCARBONYL)2(227TRIMETHYL1((2PHENYLPHENYL)CARBONYL)3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
MFCD01138054
STK027959
ZINC000097944155
ZINC97944155
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