Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Catalog ID
STL415859
SMILES CCn1c(SCC(=O)Nc2ccccc2)nnc1c1ccc2c(c1)OCCCO2
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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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c1-2-25-20(15-9-10-17-18(13-15)28-12-6-11-27-17)23-24-21(25)29-14-19(26)22-16-7-4-3-5-8-16/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,22,26)InChIKey
DNEPSMWVLQNXJG-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4ethyl124triazol3yl)sulfanyl)Nphenylacetamide
2((5(34dihydro2H15benzodioxepin7yl)4ethyl4H124triazol3yl)sulfanyl)Nphenylacetamide
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4
InChI=1SC21H22N4O3Sc122520(159101718(1315)28126112717)232421(25)291419(26)22167435816h3571013H26111214H21H3(H2226)
MFCD15078938
ZINC000033087515
ZINC33087515
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