Vitas-M small molecule compound
N,N'-hexane-1,6-diylbis(2-{[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetamide)
Catalog ID
STK189364
SMILES COc1ccc(cc1)c1nc(SCC(=O)NCCCCCCNC(=O)CSc2nc(cc(c2C#N)c2ccc(cc2)OC)c2ccc(cc2)OC)c(c(c1)c1ccc(cc1)OC)C#N
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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 C50H48N6O6S2 MW 893.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C50H48N6O6S2/c1-59-37-17-9-33(10-18-37)41-27-45(35-13-21-39(61-3)22-14-35)55-49(43(41)29-51)63-31-47(57)53-25-7-5-6-8-26-54-48(58)32-64-50-44(30-52)42(34-11-19-38(60-2)20-12-34)28-46(56-50)36-15-23-40(62-4)24-16-36/h9-24,27-28H,5-8,25-26,31-32H2,InChIKey
LMRQMNTZZZSLJA-UHFFFAOYSA-NSynonyms
2(3CYANO46BIS(4METHOXYPHENYL)PYRIDIN2YL)SULFANYLN(6((2(3CYANO46BIS(4METHOXYPHENYL)PYRIDIN2YL)SULFANYLACETYL)AMINO)HEXYL)ACETAMIDE
COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NCCCCCCNC(=O)CSC3=C(C(=CC(=N3)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)C#N)C6=CC=C(C=C6)OC
InChI=1SC50H48N6O6S2c1593717933(101837)412745(35132139(613)221435)5549(43(41)2951)633147(57)53257568265448(58)32645044(3052)42(34111938(602)201234)2846(5650)36152340(624)241636h9242728H5825263132H214H3(H5357)(H5458)
MFCD01114032
NNHEXANE16DIYLBIS(2((3CYANO46BIS(4METHOXYPHENYL)PYRIDIN2YL)SULFANYL)ACETAMIDE)
ZINC000150354182
ZINC150354182
Check stock
See real-time availability and sample size for STK189364 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.