Vitas-M small molecule compound

diethyl 2-{1-[(4-fluorophenyl)carbonyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STL070935
SMILES CCOC(=O)C1=C(S/C(=C\2/C(=S)C(C)(C)N(c3c2cc(C)cc3)C(=O)c2ccc(cc2)F)/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)20-18-14-15(3)8-13-19(18)30(28(4,5)23(20)36)24(31)16-9-11-17(29)12-10-16/h8-14H,6-7H2,1-5H3
InChIKey
TUGJGRANUWKTKL-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C2C(=S)C(C)(C)N(c3c2cc(C)cc3)C(=O)c2ccc(cc2)F)S1)C(=O)OCC
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)C(=O)OCC
diethyl2(1((4fluorophenyl)carbonyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIETHYL2(1(4FLUOROBENZOYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(1(4FLUOROBENZOYL)226TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(1(4fluorobenzoyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
ETHYL5(ETHOXYCARBONYL)2(1((4FLUOROPHENYL)CARBONYL)226TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
InChI=1SC28H26FNO5S3c163425(32)2122(26(33)3572)3827(3721)20181415(3)81319(18)30(28(45)23(20)36)24(31)1691117(29)121016h814H67H215H3
MFCD00643381
ZINC000008435525
ZINC08435525
ZINC8435525

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Available files

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