Vitas-M small molecule compound
2-{[4-(2,3-dimethylbenzyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Catalog ID
STL112114
SMILES O=C(Nc1ccccc1)CSc1nnc(n1Cc1cccc(c1C)C)COc1ccccc1
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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 C26H26N4O2S MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O2S/c1-19-10-9-11-21(20(19)2)16-30-24(17-32-23-14-7-4-8-15-23)28-29-26(30)33-18-25(31)27-22-12-5-3-6-13-22/h3-15H,16-18H2,1-2H3,(H,27,31)InChIKey
HZIPHLNTWKKMGT-UHFFFAOYSA-NSynonyms
2((4((23dimethylphenyl)methyl)5(phenoxymethyl)124triazol3yl)sulfanyl)Nphenylacetamide
2((4(23dimethylbenzyl)5(phenoxymethyl)4H124triazol3yl)sulfanyl)Nphenylacetamide
CC1=C(C(=CC=C1)CN2C(=NN=C2SCC(=O)NC3=CC=CC=C3)COC4=CC=CC=C4)C
InChI=1SC26H26N4O2Sc1191091121(20(19)2)163024(173223147481523)282926(30)331825(31)2722125361322h315H1618H212H3(H2731)
MFCD20746874
ZINC000067321257
ZINC67321257
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