Vitas-M small molecule compound
diethyl 2-(1-acetyl-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK108535
SMILES CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OCC)C(=O)OCC)/C(=S)C(N2C(=O)C)(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 C24H27NO6S3 MW 521.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO6S3/c1-7-29-14-10-11-16-15(12-14)17(20(32)24(5,6)25(16)13(4)26)23-33-18(21(27)30-8-2)19(34-23)22(28)31-9-3/h10-12H,7-9H2,1-6H3InChIKey
WACYIDAECCVOQL-UHFFFAOYSA-NSynonyms
337346-77-7337346777
CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)(C)C)C(=O)C
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OCC)C(=O)OCC)C(=S)C(N2C(=O)C)(C)C
DIETHYL2(1ACETYL6ETHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(1ACETYL6ETHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
ETHYL2(1ACETYL6ETHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(ETHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
InChI=1SC24H27NO6S3c17291410111615(1214)17(20(32)24(56)25(16)13(4)26)233318(21(27)3082)19(3423)22(28)3193h1012H79H216H3
MFCD01819167
ZINC000006631056
ZINC06631056
ZINC6631056
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