Vitas-M small molecule compound

ethyl (2Z)-5-phenyl-2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4-carboxylate

Catalog ID
STK870924
SMILES CCOC(=O)C1=C(S/C(=C/2\c3ccc(cc3NC(C2=S)(C)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 C24H23NO2S3 MW 453.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23NO2S3/c1-5-27-22(26)20-19(15-9-7-6-8-10-15)29-23(30-20)18-16-12-11-14(2)13-17(16)25-24(3,4)21(18)28/h6-13,25H,5H2,1-4H3/b23-18-
InChIKey
NNHBWXPQVORCGW-NKFKGCMQSA-N
Synonyms
307337-41-3
(Z)ethyl5phenyl2(227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole4carboxylate
307337413
CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=C3)C)NC(C2=S)(C)C)S1)C4=CC=CC=C4
CCOC(=O)C1=C(SC(=C2c3ccc(cc3NC(C2=S)(C)C)C)S1)c1ccccc1
ETHYL(2Z)5PHENYL2(227TRIMETHYL3SULFANYLIDENE1HQUINOLIN4YLIDENE)13DITHIOLE4CARBOXYLATE
ethyl(2Z)5phenyl2(227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole4carboxylate
ETHYL5PHENYL2(227TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
ETHYL5PHENYL2(227TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE4CARBOXYLATE
InChI=1SC24H23NO2S3c152722(26)2019(1597681015)2923(3020)1816121114(2)1317(16)2524(34)21(18)28h61325H5H214H3b2318
MFCD00809943
ZINC000002055958
ZINC02055958
ZINC2055958

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Available files

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