Vitas-M small molecule compound
ethyl (2Z)-2-{1-[(3-fluorophenyl)carbonyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-5-phenyl-1,3-dithiole-4-carboxylate
Catalog ID
STK789318
SMILES CCOC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)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(19-10-7-6-8-11-19)38-30(39-26)24-22-16-18(2)14-15-23(22)33(31(3,4)27(24)37)28(34)20-12-9-13-21(32)17-20/h6-17H,5H2,1-4H3/b30-24-InChIKey
QOPPZJZQYZYKLG-KRUMMXJUSA-NSynonyms
(Z)ethyl2(1(3fluorobenzoyl)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(=CC=C4)F)S1)C5=CC=CC=C5
CCOC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)F)S1)c1ccccc1
ethyl(2Z)2(1((3fluorophenyl)carbonyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
ETHYL(2Z)2(1(3FLUOROBENZOYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
InChI=1SC31H26FNO3S3c153629(35)2625(19107681119)3830(3926)24221618(2)141523(22)33(31(34)27(24)37)28(34)201291321(32)1720h617H5H214H3b3024
MFCD01068084
ZINC000097968836
ZINC97968836
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