Vitas-M small molecule compound
diethyl 2-{6-ethoxy-1-[(3-fluorophenyl)carbonyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK055673
SMILES CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OCC)C(=O)OCC)/C(=S)C(N2C(=O)c1cccc(c1)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 C29H28FNO6S3 MW 601.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28FNO6S3/c1-6-35-18-12-13-20-19(15-18)21(28-39-22(26(33)36-7-2)23(40-28)27(34)37-8-3)24(38)29(4,5)31(20)25(32)16-10-9-11-17(30)14-16/h9-15H,6-8H2,1-5H3InChIKey
LDZSXVIRUUQWQU-UHFFFAOYSA-NSynonyms
CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)(C)C)C(=O)C4=CC(=CC=C4)F
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OCC)C(=O)OCC)C(=S)C(N2C(=O)c1cccc(c1)F)(C)C
DIETHYL2(6ETHOXY1((3FLUOROPHENYL)CARBONYL)22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(6ETHOXY1(3FLUOROBENZOYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(6ETHOXY1(3FLUOROBENZOYL)22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(6ethoxy1(3fluorobenzoyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
ETHYL5(ETHOXYCARBONYL)2(6ETHOXY1((3FLUOROPHENYL)CARBONYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
InChI=1SC29H28FNO6S3c16351812132019(1518)21(283922(26(33)3672)23(4028)27(34)3783)24(38)29(45)31(20)25(32)161091117(30)1416h915H68H215H3
MFCD00643364
STK055673
ZINC000006631058
ZINC06631058
ZINC6631058
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