Vitas-M small molecule compound

dimethyl 2-{7-ethoxy-1-[(4-fluorophenyl)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK789497
SMILES CCOc1ccc2c(c1)N(C(=O)Cc1ccc(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 C28H26FNO6S3 MW 587.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26FNO6S3/c1-6-36-17-11-12-18-19(14-17)30(20(31)13-15-7-9-16(29)10-8-15)28(2,3)24(37)21(18)27-38-22(25(32)34-4)23(39-27)26(33)35-5/h7-12,14H,6,13H2,1-5H3
InChIKey
VVOUBPAJNZGGQF-UHFFFAOYSA-N
Synonyms

CCOC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CC4=CC=C(C=C4)F)(C)C
CCOc1ccc2c(c1)N(C(=O)Cc1ccc(cc1)F)C(C(=S)C2=C1SC(=C(S1)C(=O)OC)C(=O)OC)(C)C
DIMETHYL2(7ETHOXY1((4FLUOROPHENYL)ACETYL)22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(7ethoxy1((4fluorophenyl)acetyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(7ETHOXY1(2(4FLUOROPHENYL)ACETYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(7ethoxy1(2(4fluorophenyl)acetyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC28H26FNO6S3c16361711121819(1417)30(20(31)13157916(29)10815)28(23)24(37)21(18)273822(25(32)344)23(3927)26(33)355h71214H613H215H3
METHYL2(7ETHOXY1(2(4FLUOROPHENYL)ACETYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01171516
ZINC000006631065
ZINC06631065
ZINC6631065

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Available files

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