Vitas-M small molecule compound
diethyl 2-{1-[(3-fluorophenyl)carbonyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK788996
SMILES CCOC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)F)/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 C27H24FNO5S3 MW 557.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24FNO5S3/c1-5-33-24(31)20-21(25(32)34-6-2)37-26(36-20)19-17-12-7-8-13-18(17)29(27(3,4)22(19)35)23(30)15-10-9-11-16(28)14-15/h7-14H,5-6H2,1-4H3InChIKey
JFJXGHZNGGZZDQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)C4=CC(=CC=C4)F)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)F)S1)C(=O)OCC
diethyl2(1((3fluorophenyl)carbonyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIETHYL2(1(3FLUOROBENZOYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(1(3FLUOROBENZOYL)22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(1(3fluorobenzoyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
ETHYL5(ETHOXYCARBONYL)2(1((3FLUOROPHENYL)CARBONYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
InChI=1SC27H24FNO5S3c153324(31)2021(25(32)3462)3726(3620)191712781318(17)29(27(34)22(19)35)23(30)151091116(28)1415h714H56H214H3
MFCD00643371
ZINC000006545841
ZINC06545841
ZINC6545841
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