Vitas-M small molecule compound
dimethyl 2-[6-ethoxy-2,2-dimethyl-3-thioxo-1-{[4-(trifluoromethyl)phenyl]carbonyl}-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK044514
SMILES CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)c1ccc(cc1)C(F)(F)F)(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 C28H24F3NO6S3 MW 623.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24F3NO6S3/c1-6-38-16-11-12-18-17(13-16)19(26-40-20(24(34)36-4)21(41-26)25(35)37-5)22(39)27(2,3)32(18)23(33)14-7-9-15(10-8-14)28(29,30)31/h7-13H,6H2,1-5H3InChIKey
HQSBKTIVWDRFPY-UHFFFAOYSA-NSynonyms
CCOC1=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
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)c1ccc(cc1)C(F)(F)F)(C)C
DIMETHYL2(6ETHOXY22DIMETHYL3SULFANYLIDENE1(4(TRIFLUOROMETHYL)BENZOYL)QUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(6ETHOXY22DIMETHYL3THIOXO1((4(TRIFLUOROMETHYL)PHENYL)CARBONYL)23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(6ethoxy22dimethyl3thioxo1(4(trifluoromethyl)benzoyl)23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC28H24F3NO6S3c16381611121817(1316)19(264020(24(34)364)21(4126)25(35)375)22(39)27(23)32(18)23(33)147915(10814)28(2930)31h713H6H215H3
MFCD01561981
STK044514
ZINC000097999431
ZINC97999431
Check stock
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Check stock on Vitas-MAvailable files
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