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-(2-methylphenyl)acetamide
Catalog ID
STL415862
SMILES CCn1c(SCC(=O)Nc2ccccc2C)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 C22H24N4O3S MW 424.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O3S/c1-3-26-21(16-9-10-18-19(13-16)29-12-6-11-28-18)24-25-22(26)30-14-20(27)23-17-8-5-4-7-15(17)2/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3,(H,23,27)InChIKey
AUXCTPOGJKOKKK-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4ethyl124triazol3yl)sulfanyl)N(2methylphenyl)acetamide
2((5(34dihydro2H15benzodioxepin7yl)4ethyl4H124triazol3yl)sulfanyl)N(2methylphenyl)acetamide
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C)C3=CC4=C(C=C3)OCCCO4
InChI=1SC22H24N4O3Sc132621(169101819(1316)29126112818)242522(26)301420(27)2317854715(17)2h4571013H36111214H212H3(H2327)
MFCD27221250
ZINC000064987259
ZINC64987259
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