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}-N-phenylacetamide
Catalog ID
STL406189
SMILES O=C(Nc1ccccc1)CSc1nnc(n1C(C)C)c1ccc2c(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/c1-15(2)26-21(16-9-10-18-19(13-16)29-12-6-11-28-18)24-25-22(26)30-14-20(27)23-17-7-4-3-5-8-17/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3,(H,23,27)InChIKey
BZHDMYGRMJKKRK-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4(propan2yl)4H124triazol3yl)sulfanyl)Nphenylacetamide
2((5(34dihydro2H15benzodioxepin7yl)4propan2yl124triazol3yl)sulfanyl)Nphenylacetamide
CC(C)N1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4
InChI=1SC22H24N4O3Sc115(2)2621(169101819(1316)29126112818)242522(26)301420(27)23177435817h357101315H6111214H212H3(H2327)
MFCD15078963
ZINC000033087538
ZINC33087538
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