Vitas-M small molecule compound
dimethyl 2-{6-ethoxy-1-[(4-fluorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK695762
SMILES CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)COc1ccc(cc1)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 C28H26FNO7S3 MW 603.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26FNO7S3/c1-6-36-17-11-12-19-18(13-17)21(27-39-22(25(32)34-4)23(40-27)26(33)35-5)24(38)28(2,3)30(19)20(31)14-37-16-9-7-15(29)8-10-16/h7-13H,6,14H2,1-5H3InChIKey
JKAGDBDABLBHOM-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)COC4=CC=C(C=C4)F
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)COc1ccc(cc1)F)(C)C
dimethyl2(6ethoxy1((4fluorophenoxy)acetyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(6ETHOXY1(2(4FLUOROPHENOXY)ACETYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(6ethoxy1(2(4fluorophenoxy)acetyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC28H26FNO7S3c16361711121918(1317)21(273922(25(32)344)23(4027)26(33)355)24(38)28(23)30(19)20(31)1437169715(29)81016h713H614H215H3
METHYL2(6ETHOXY1(2(4FLUOROPHENOXY)ACETYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00616845
ZINC000006631050
ZINC6631050
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