Vitas-M small molecule compound
2-[(3,4-dichlorobenzyl)sulfanyl]-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK077644
SMILES N#CC1=C(SCc2ccc(c(c2)Cl)Cl)NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C
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 C27H26Cl2N2O3S MW 529.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26Cl2N2O3S/c1-27(2)11-20-25(21(32)12-27)24(16-6-8-22(33-3)23(10-16)34-4)17(13-30)26(31-20)35-14-15-5-7-18(28)19(29)9-15/h5-10,24,31H,11-12,14H2,1-4H3InChIKey
BDTXEXHXPJTWMR-UHFFFAOYSA-NSynonyms
2((34dichlorobenzyl)sulfanyl)4(34dimethoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2((34dichlorophenyl)methylsulfanyl)4(34dimethoxyphenyl)77dimethyl5oxo1468tetrahydroquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2)SCC3=CC(=C(C=C3)Cl)Cl)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C
InChI=1SC27H26Cl2N2O3Sc127(2)112025(21(32)1227)24(166822(333)23(1016)344)17(1330)26(3120)3514155718(28)19(29)915h5102431H111214H214H3
MFCD03837886
N#CC1=C(SCc2ccc(c(c2)Cl)Cl)NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C
STK077644
ZINC000008433433
ZINC000008433434
Check stock
See real-time availability and sample size for STK077644 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.