VITAS-M Laboratory logo VITAS‑M Laboratory COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
Vitas-M small molecule compound

dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK044294
SMILES COC(=O)C1=C(S/C(=C/2\c3ccccc3N(C(C2=S)(C)C)C(=O)CCC2CCCCC2)/S1)C(=O)OC

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

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 C27H31NO5S3 MW 545.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO5S3/c1-27(2)23(34)20(26-35-21(24(30)32-3)22(36-26)25(31)33-4)17-12-8-9-13-18(17)28(27)19(29)15-14-16-10-6-5-7-11-16/h8-9,12-13,16H,5-7,10-11,14-15H2,1-4H3
InChIKey
DTWOBJRXEREEOD-UHFFFAOYSA-N
Synonyms
351192-05-7
351192057
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)CCC4CCCCC4)C
COC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)CCC2CCCCC2)S1)C(=O)OC
DIMETHYL2(1(3CYCLOHEXYLPROPANOYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(3CYCLOHEXYLPROPANOYL)22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(3CYCLOHEXYLPROPANOYL)22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC27H31NO5S3c127(2)23(34)20(263521(24(30)323)22(3626)25(31)334)1712891318(17)28(27)19(29)151416106571116h89121316H5710111415H214H3
METHYL2(1(3CYCLOHEXYLPROPANOYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01563344
STK044294
ZINC000006190986
ZINC06190986
ZINC6190986

Check stock

See real-time availability and sample size for STK044294 on the Vitas-M platform.

Check stock on Vitas-M

Available files

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

Download SDF Download MOL 3D structure Download SDS