Vitas-M small molecule compound

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

Catalog ID
STK789109
SMILES CCOc1cccc2c1N(C(=O)COc1ccc(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 C28H26FNO7S3 MW 603.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26FNO7S3/c1-6-36-18-9-7-8-17-20(27-39-22(25(32)34-4)23(40-27)26(33)35-5)24(38)28(2,3)30(21(17)18)19(31)14-37-16-12-10-15(29)11-13-16/h7-13H,6,14H2,1-5H3
InChIKey
MSDIXRJYXHETCJ-UHFFFAOYSA-N
Synonyms

CCOC1=CC=CC2=C1N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)COC4=CC=C(C=C4)F
CCOc1cccc2c1N(C(=O)COc1ccc(cc1)F)C(C(=S)C2=C1SC(=C(S1)C(=O)OC)C(=O)OC)(C)C
DIMETHYL2(8ETHOXY1((4FLUOROPHENOXY)ACETYL)22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(8ethoxy1((4fluorophenoxy)acetyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(8ETHOXY1(2(4FLUOROPHENOXY)ACETYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(8ethoxy1(2(4fluorophenoxy)acetyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC28H26FNO7S3c1636189781720(273922(25(32)344)23(4027)26(33)355)24(38)28(23)30(21(17)18)19(31)143716121015(29)111316h713H614H215H3
MFCD00616851
ZINC000008434923
ZINC08434923
ZINC8434923

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Available files

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