Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(naphthalen-1-yloxy)methyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447163
SMILES Sc1nnc(n1c1ccc2c(c1)OCCO2)COc1cccc2c1cccc2
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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 C21H17N3O3S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O3S/c28-21-23-22-20(13-27-17-7-3-5-14-4-1-2-6-16(14)17)24(21)15-8-9-18-19(12-15)26-11-10-25-18/h1-9,12H,10-11,13H2,(H,23,28)InChIKey
NYYWWFLGRPEUDJ-UHFFFAOYSA-NSynonyms
4(23dihydro14benzodioxin6yl)3(naphthalen1yloxymethyl)1H124triazole5thione
4(23dihydro14benzodioxin6yl)5((naphthalen1yloxy)methyl)4H124triazole3thiol
4(2H3HBENZO(34E)14DIOXAN6YL)5(NAPHTHYLOXYMETHYL)124TRIAZOLE3THIOL
C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)COC4=CC=CC5=CC=CC=C54
InChI=1SC21H17N3O3Sc2821232220(13271773514412616(14)17)24(21)15891819(1215)2611102518h1912H101113H2(H2328)
MFCD04059967
ZINC000006829904
ZINC06829904
ZINC6829904
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