Vitas-M small molecule compound

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

Catalog ID
STK789001
SMILES CCOC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)OC)/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 C28H27NO6S3 MW 569.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO6S3/c1-6-34-25(31)21-22(26(32)35-7-2)38-27(37-21)20-18-10-8-9-11-19(18)29(28(3,4)23(20)36)24(30)16-12-14-17(33-5)15-13-16/h8-15H,6-7H2,1-5H3
InChIKey
PEURBOKFPKNOJR-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)C4=CC=C(C=C4)OC)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)OC)S1)C(=O)OCC
diethyl2(1((4methoxyphenyl)carbonyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIETHYL2(1(4METHOXYBENZOYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(1(4METHOXYBENZOYL)22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(1(4methoxybenzoyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
ETHYL5(ETHOXYCARBONYL)2(1((4METHOXYPHENYL)CARBONYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
InChI=1SC28H27NO6S3c163425(31)2122(26(32)3572)3827(3721)201810891119(18)29(28(34)23(20)36)24(30)16121417(335)151316h815H67H215H3
MFCD00643382
ZINC000008435526
ZINC08435526
ZINC8435526

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Available files

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