Vitas-M small molecule compound

dimethyl 2-{6-ethoxy-1-[(4-fluorophenyl)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK789159
SMILES CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)Cc1ccc(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 C28H26FNO6S3 MW 587.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26FNO6S3/c1-6-36-17-11-12-19-18(14-17)21(27-38-22(25(32)34-4)23(39-27)26(33)35-5)24(37)28(2,3)30(19)20(31)13-15-7-9-16(29)10-8-15/h7-12,14H,6,13H2,1-5H3
InChIKey
IEELKAAOOJXUOP-UHFFFAOYSA-N
Synonyms

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)CC4=CC=C(C=C4)F
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)Cc1ccc(cc1)F)(C)C
dimethyl2(6ethoxy1((4fluorophenyl)acetyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(6ETHOXY1(2(4FLUOROPHENYL)ACETYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(6ethoxy1(2(4fluorophenyl)acetyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC28H26FNO6S3c16361711121918(1417)21(273822(25(32)344)23(3927)26(33)355)24(37)28(23)30(19)20(31)13157916(29)10815h71214H613H215H3
METHYL2(6ETHOXY1(2(4FLUOROPHENYL)ACETYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00616811
ZINC000097996166
ZINC97996166

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Available files

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