Vitas-M small molecule compound
dimethyl 2-[2,2,6-trimethyl-3-thioxo-1-{[4-(trifluoromethyl)phenyl]carbonyl}-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK031311
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)C(F)(F)F)/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 C27H22F3NO5S3 MW 593.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22F3NO5S3/c1-13-6-11-17-16(12-13)18(25-38-19(23(33)35-4)20(39-25)24(34)36-5)21(37)26(2,3)31(17)22(32)14-7-9-15(10-8-14)27(28,29)30/h6-12H,1-5H3InChIKey
ZIMLIKJNVLEXDL-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC=C(C=C4)C(F)(F)F
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)C(F)(F)F)S1)C(=O)OC
DIMETHYL2(226TRIMETHYL3SULFANYLIDENE1(4(TRIFLUOROMETHYL)BENZOYL)QUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(226TRIMETHYL3THIOXO1((4(TRIFLUOROMETHYL)PHENYL)CARBONYL)23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(226trimethyl3thioxo1(4(trifluoromethyl)benzoyl)23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H22F3NO5S3c1136111716(1213)18(253819(23(33)354)20(3925)24(34)365)21(37)26(23)31(17)22(32)147915(10814)27(2829)30h612H15H3
METHYL5(METHOXYCARBONYL)2(226TRIMETHYL3THIOXO1((4(TRIFLUOROMETHYL)PHENYL)CARBONYL)(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
MFCD01561953
STK031311
ZINC000100124911
ZINC100124911
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