Vitas-M small molecule compound
dimethyl 2-[2,2,6-trimethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK095717
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)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 C21H18F3NO5S3 MW 517.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3NO5S3/c1-9-6-7-11-10(8-9)12(15(31)20(2,3)25(11)19(28)21(22,23)24)18-32-13(16(26)29-4)14(33-18)17(27)30-5/h6-8H,1-5H3InChIKey
DFFOFNLBKZOAQY-UHFFFAOYSA-NSynonyms
331416-91-2331416912
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C(F)(F)F
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)C(F)(F)F)S1)C(=O)OC
DIMETHYL2(226TRIMETHYL3SULFANYLIDENE1(222TRIFLUOROACETYL)QUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(226trimethyl3thioxo1(222trifluoroacetyl)23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(226TRIMETHYL3THIOXO1(TRIFLUOROACETYL)23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC21H18F3NO5S3c19671110(89)12(15(31)20(23)25(11)19(28)21(2223)24)183213(16(26)294)14(3318)17(27)305h68H15H3
METHYL5(METHOXYCARBONYL)2(226TRIMETHYL3THIOXO1(222TRIFLUOROACETYL)(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
MFCD00689681
STK095717
ZINC000008387358
ZINC08387358
ZINC8387358
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