Vitas-M small molecule compound
diethyl 2-{1-[(3-fluorophenyl)carbonyl]-2,2,8-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK064611
SMILES CCOC(=O)C1=C(S/C(=C\2/c3cccc(c3N(C(C2=S)(C)C)C(=O)c2cccc(c2)F)C)/S1)C(=O)OCC
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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 C28H26FNO5S3 MW 571.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26FNO5S3/c1-6-34-25(32)21-22(26(33)35-7-2)38-27(37-21)19-18-13-8-10-15(3)20(18)30(28(4,5)23(19)36)24(31)16-11-9-12-17(29)14-16/h8-14H,6-7H2,1-5H3InChIKey
VNXHNDZENRLFSU-UHFFFAOYSA-NSynonyms
5302-56-75302567
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)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3cccc(c3N(C(C2=S)(C)C)C(=O)c2cccc(c2)F)C)S1)C(=O)OCC
DIETHYL2(1((3FLUOROPHENYL)CARBONYL)228TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(1(3FLUOROBENZOYL)228TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC28H26FNO5S3c163425(32)2122(26(33)3572)3827(3721)19181381015(3)20(18)30(28(45)23(19)36)24(31)161191217(29)1416h814H67H215H3
MFCD00643373
STK064611
ZINC000100365290
ZINC100365290
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