Vitas-M small molecule compound
diethyl 2-[2,2,7-trimethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK036197
SMILES CCOC(=O)C1=C(S/C(=C\2/c3ccc(cc3N(C(C2=S)(C)C)C(=O)C(F)(F)F)C)/S1)C(=O)OCC
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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 C23H22F3NO5S3 MW 545.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22F3NO5S3/c1-6-31-18(28)15-16(19(29)32-7-2)35-20(34-15)14-12-9-8-11(3)10-13(12)27(21(30)23(24,25)26)22(4,5)17(14)33/h8-10H,6-7H2,1-5H3InChIKey
CJCJYJAINQTWEW-UHFFFAOYSA-NSynonyms
331640-30-3331640303
CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=C3)C)N(C(C2=S)(C)C)C(=O)C(F)(F)F)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)C(F)(F)F)C)S1)C(=O)OCC
DIETHYL2(227TRIMETHYL3SULFANYLIDENE1(222TRIFLUOROACETYL)QUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(227TRIMETHYL3THIOXO1(222TRIFLUOROACETYL)23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(227TRIMETHYL3THIOXO1(TRIFLUOROACETYL)23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
ETHYL5(ETHOXYCARBONYL)2(227TRIMETHYL3THIOXO1(222TRIFLUOROACETYL)(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
InChI=1SC23H22F3NO5S3c163118(28)1516(19(29)3272)3520(3415)14129811(3)1013(12)27(21(30)23(2425)26)22(45)17(14)33h810H67H215H3
MFCD01156168
STK036197
ZINC000006545826
ZINC06545826
ZINC6545826
Check stock
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Check stock on Vitas-MAvailable files
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