Vitas-M small molecule compound

methyl (2Z)-5-phenyl-2-(2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4-carboxylate

Catalog ID
STK038469
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3NC(C2=S)(C)C)/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 C23H21NO2S3 MW 439.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO2S3/c1-13-10-11-16-15(12-13)17(20(27)23(2,3)24-16)22-28-18(14-8-6-5-7-9-14)19(29-22)21(25)26-4/h5-12,24H,1-4H3/b22-17-
InChIKey
GLMMAOTVXAHXJG-XLNRJJMWSA-N
Synonyms
332074-16-5
(Z)methyl5phenyl2(226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole4carboxylate
332074165
CC1=CC2=C(C=C1)NC(C(=S)C2=C3SC(=C(S3)C(=O)OC)C4=CC=CC=C4)(C)C
COC(=O)C1=C(SC(=C2c3cc(C)ccc3NC(C2=S)(C)C)S1)c1ccccc1
InChI=1SC23H21NO2S3c11310111615(1213)17(20(27)23(23)2416)222818(148657914)19(2922)21(25)264h51224H14H3b2217
METHYL(2Z)5PHENYL2(226TRIMETHYL3SULFANYLIDENE1HQUINOLIN4YLIDENE)13DITHIOLE4CARBOXYLATE
METHYL(2Z)5PHENYL2(226TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE4CARBOXYLATE
METHYL5PHENYL2(226TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
METHYL5PHENYL2(226TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE4CARBOXYLATE
MFCD01560656
STK038469
ZINC000001755572
ZINC01755572
ZINC1755572

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.