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

dimethyl 2-{1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK076858
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)C(N2C(=O)c3c(C2=O)cccc3)Cc2ccccc2)/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 C36H30N2O7S3 MW 698.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30N2O7S3/c1-19-15-16-24-23(17-19)26(35-47-27(33(42)44-4)28(48-35)34(43)45-5)29(46)36(2,3)38(24)32(41)25(18-20-11-7-6-8-12-20)37-30(39)21-13-9-10-14-22(21)31(37)40/h6-17,25H,18H2,1-5H3
InChIKey
BIVHBPZDBQZGQS-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C(CC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)C(N2C(=O)c3c(C2=O)cccc3)Cc2ccccc2)S1)C(=O)OC
DIMETHYL2(1(2(13DIOXO13DIHYDRO2HISOINDOL2YL)3PHENYLPROPANOYL)226TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2(13DIOXO13DIHYDRO2HISOINDOL2YL)3PHENYLPROPANOYL)226TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2(13DIOXOISOINDOL2YL)3PHENYLPROPANOYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(13dioxoisoindolin2yl)3phenylpropanoyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC36H30N2O7S3c11915162423(1719)26(354727(33(42)444)28(4835)34(43)455)29(46)36(23)38(24)32(41)25(1820117681220)3730(39)21139101422(21)31(37)40h61725H18H215H3
MFCD01171285
STK076858
ZINC000008430483
ZINC000008430484
ZINC08430484

Check stock

See real-time availability and sample size for STK076858 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