Vitas-M small molecule compound

dimethyl 2-{8-ethoxy-1-[(4-fluorophenyl)carbonyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK789075
SMILES CCOc1cccc2c1N(C(=O)c1ccc(cc1)F)C(C(=S)/C/2=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)(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 C27H24FNO6S3 MW 573.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24FNO6S3/c1-6-35-17-9-7-8-16-18(26-37-20(24(31)33-4)21(38-26)25(32)34-5)22(36)27(2,3)29(19(16)17)23(30)14-10-12-15(28)13-11-14/h7-13H,6H2,1-5H3
InChIKey
GCUQQTIJNFFSLI-UHFFFAOYSA-N
Synonyms

CCOC1=CC=CC2=C1N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC=C(C=C4)F
CCOc1cccc2c1N(C(=O)c1ccc(cc1)F)C(C(=S)C2=C1SC(=C(S1)C(=O)OC)C(=O)OC)(C)C
dimethyl2(8ethoxy1((4fluorophenyl)carbonyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(8ETHOXY1(4FLUOROBENZOYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(8ETHOXY1(4FLUOROBENZOYL)22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(8ethoxy1(4fluorobenzoyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H24FNO6S3c1635179781618(263720(24(31)334)21(3826)25(32)345)22(36)27(23)29(19(16)17)23(30)14101215(28)131114h713H6H215H3
METHYL2(8ETHOXY1((4FLUOROPHENYL)CARBONYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00658070
ZINC000008386569
ZINC08386569
ZINC8386569

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Available files

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