Vitas-M small molecule compound
dimethyl 2-{8-ethoxy-1-[(4-methoxyphenyl)carbonyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789509
SMILES CCOc1cccc2c1N(C(=O)c1ccc(cc1)OC)C(C(=S)/C/2=C/1\SC(=C(S1)C(=O)OC)C(=O)OC)(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 C28H27NO7S3 MW 585.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO7S3/c1-7-36-18-10-8-9-17-19(27-38-21(25(31)34-5)22(39-27)26(32)35-6)23(37)28(2,3)29(20(17)18)24(30)15-11-13-16(33-4)14-12-15/h8-14H,7H2,1-6H3InChIKey
JGGDVCVSZSJBLA-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC2=C1N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC=C(C=C4)OC
CCOc1cccc2c1N(C(=O)c1ccc(cc1)OC)C(C(=S)C2=C1SC(=C(S1)C(=O)OC)C(=O)OC)(C)C
dimethyl2(8ethoxy1((4methoxyphenyl)carbonyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(8ETHOXY1(4METHOXYBENZOYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(8ethoxy1(4methoxybenzoyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC28H27NO7S3c17361810891719(273821(25(31)345)22(3927)26(32)356)23(37)28(23)29(20(17)18)24(30)15111316(334)141215h814H7H216H3
METHYL2(8ETHOXY1((4METHOXYPHENYL)CARBONYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01171534
ZINC000059819285
ZINC59819285
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