Vitas-M small molecule compound
dimethyl 2-[7-ethoxy-2,2-dimethyl-1-(phenylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789119
SMILES CCOc1ccc2c(c1)N(C(=O)c1ccccc1)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 C27H25NO6S3 MW 555.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO6S3/c1-6-34-16-12-13-17-18(14-16)28(23(29)15-10-8-7-9-11-15)27(2,3)22(35)19(17)26-36-20(24(30)32-4)21(37-26)25(31)33-5/h7-14H,6H2,1-5H3InChIKey
MWHPWYROOMRKRJ-UHFFFAOYSA-NSynonyms
CCOC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C4=CC=CC=C4)(C)C
CCOc1ccc2c(c1)N(C(=O)c1ccccc1)C(C(=S)C2=C1SC(=C(S1)C(=O)OC)C(=O)OC)(C)C
DIMETHYL2(1BENZOYL7ETHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1benzoyl7ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(7ethoxy22dimethyl1(phenylcarbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H25NO6S3c16341612131718(1416)28(23(29)15108791115)27(23)22(35)19(17)263620(24(30)324)21(3726)25(31)335h714H6H215H3
METHYL2(7ETHOXY22DIMETHYL1(PHENYLCARBONYL)3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00616863
ZINC000006631066
ZINC6631066
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