Vitas-M small molecule compound

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

Catalog ID
STK137046
SMILES CCOC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)c2ccccc2Cl)/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 C27H24ClNO5S3 MW 574.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClNO5S3/c1-5-33-24(31)20-21(25(32)34-6-2)37-26(36-20)19-16-12-8-10-14-18(16)29(27(3,4)22(19)35)23(30)15-11-7-9-13-17(15)28/h7-14H,5-6H2,1-4H3
InChIKey
IPGAZAPBRAXLDC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)C4=CC=CC=C4Cl)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)c2ccccc2Cl)S1)C(=O)OCC
DIETHYL2(1((2CHLOROPHENYL)CARBONYL)22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(1(2CHLOROBENZOYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(1(2CHLOROBENZOYL)22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(1(2chlorobenzoyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
ETHYL2(1((2CHLOROPHENYL)CARBONYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(ETHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
InChI=1SC27H24ClNO5S3c153324(31)2021(25(32)3462)3726(3620)1916128101418(16)29(27(34)22(19)35)23(30)1511791317(15)28h714H56H214H3
MFCD01137929
ZINC000004150536
ZINC04150536
ZINC4150536

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Available files

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