Vitas-M small molecule compound

ethyl (2Z)-2-{1-[(4-fluorophenyl)carbonyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-5-phenyl-1,3-dithiole-4-carboxylate

Catalog ID
STK789320
SMILES CCOC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)F)/S1)c1ccccc1

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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 C31H26FNO3S3 MW 575.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26FNO3S3/c1-5-36-29(35)26-25(19-9-7-6-8-10-19)38-30(39-26)24-22-17-18(2)11-16-23(22)33(31(3,4)27(24)37)28(34)20-12-14-21(32)15-13-20/h6-17H,5H2,1-4H3/b30-24-
InChIKey
MKZJOHQTBXDLIG-KRUMMXJUSA-N
Synonyms

(Z)ethyl2(1(4fluorobenzoyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)C4=CC=C(C=C4)F)S1)C5=CC=CC=C5
CCOC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)F)S1)c1ccccc1
ethyl(2Z)2(1((4fluorophenyl)carbonyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
ETHYL(2Z)2(1(4FLUOROBENZOYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
InChI=1SC31H26FNO3S3c153629(35)2625(1997681019)3830(3926)24221718(2)111623(22)33(31(34)27(24)37)28(34)20121421(32)151320h617H5H214H3b3024
MFCD01068087
ZINC000100634184
ZINC100634184

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.