Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Catalog ID
STL415899
SMILES O=C(Nc1ccccc1)CSc1nnc(n1C)Cc1ccc2c(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/c1-25-19(13-15-8-9-17-18(12-15)28-11-5-10-27-17)23-24-21(25)29-14-20(26)22-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,22,26)InChIKey
UIQDXLWGRREOIV-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7ylmethyl)4methyl124triazol3yl)sulfanyl)Nphenylacetamide
2((5(34dihydro2H15benzodioxepin7ylmethyl)4methyl4H124triazol3yl)sulfanyl)Nphenylacetamide
CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCCO4
InChI=1SC21H22N4O3Sc12519(1315891718(1215)28115102717)232421(25)291420(26)22166324716h246912H510111314H21H3(H2226)
MFCD30706861
ZINC000101160911
ZINC101160911
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