Vitas-M small molecule compound
dimethyl 2-{1-[(4-tert-butylphenyl)carbonyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK000731
SMILES COC(=O)C1=C(S/C(=C/2\c3ccccc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)C(C)(C)C)/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 C29H29NO5S3 MW 567.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO5S3/c1-28(2,3)17-14-12-16(13-15-17)24(31)30-19-11-9-8-10-18(19)20(23(36)29(30,4)5)27-37-21(25(32)34-6)22(38-27)26(33)35-7/h8-15H,1-7H3InChIKey
PDUWEOPZUABTMO-UHFFFAOYSA-NSynonyms
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C4=CC=C(C=C4)C(C)(C)C)C
COC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)C(C)(C)C)S1)C(=O)OC
DIMETHYL2(1((4TERTBUTYLPHENYL)CARBONYL)22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(4(tertbutyl)benzoyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(4TERTBUTYLBENZOYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(4TERTBUTYLBENZOYL)22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC29H29NO5S3c128(23)17141216(131517)24(31)301911981018(19)20(23(36)29(304)5)273721(25(32)346)22(3827)26(33)357h815H17H3
MFCD00980243
STK000731
ZINC000008396976
ZINC08396976
ZINC8396976
Check stock
See real-time availability and sample size for STK000731 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.