Vitas-M small molecule compound
2-({[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STL406080
SMILES N#Cc1ccccc1CSc1nnc(n1C(C)C)c1ccc2c(c1)OCCCO2
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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-15(2)26-21(16-8-9-19-20(12-16)28-11-5-10-27-19)24-25-22(26)29-14-18-7-4-3-6-17(18)13-23/h3-4,6-9,12,15H,5,10-11,14H2,1-2H3InChIKey
QUFNTNCGWLKRGE-UHFFFAOYSA-NSynonyms
2(((5(34dihydro2H15benzodioxepin7yl)4(propan2yl)4H124triazol3yl)sulfanyl)methyl)benzonitrile
2((5(34dihydro2H15benzodioxepin7yl)4propan2yl124triazol3yl)sulfanylmethyl)benzonitrile
CC(C)N1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC4=C(C=C3)OCCCO4
InChI=1SC22H22N4O2Sc115(2)2621(16891920(1216)28115102719)242522(26)291418743617(18)1323h34691215H5101114H212H3
MFCD30704398
ZINC000101151877
ZINC101151877
Check stock
See real-time availability and sample size for STL406080 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.