Vitas-M small molecule compound
dimethyl 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
STK788986
SMILES CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/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 C27H24FNO6S3 MW 573.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24FNO6S3/c1-6-35-16-10-11-18-17(13-16)19(26-37-20(24(31)33-4)21(38-26)25(32)34-5)22(36)27(2,3)29(18)23(30)14-8-7-9-15(28)12-14/h7-13H,6H2,1-5H3InChIKey
JBCAONAXNJTZNJ-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(=CC=C4)F
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)c1cccc(c1)F)(C)C
dimethyl2(6ethoxy1((3fluorophenyl)carbonyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(6ETHOXY1(3FLUOROBENZOYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(6ETHOXY1(3FLUOROBENZOYL)22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(6ethoxy1(3fluorobenzoyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H24FNO6S3c16351610111817(1316)19(263720(24(31)334)21(3826)25(32)345)22(36)27(23)29(18)23(30)1487915(28)1214h713H6H215H3
METHYL2(6ETHOXY1((3FLUOROPHENYL)CARBONYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00630845
ZINC000008398243
ZINC08398243
ZINC8398243
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