Vitas-M small molecule compound
5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK807235
SMILES S=c1[nH]nc(n1c1ccccc1)COc1ccc2c(c1)OCO2
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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 C16H13N3O3S MW 327.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O3S/c23-16-18-17-15(19(16)11-4-2-1-3-5-11)9-20-12-6-7-13-14(8-12)22-10-21-13/h1-8H,9-10H2,(H,18,23)InChIKey
YQASEHAOCMNAIP-UHFFFAOYSA-NSynonyms
609792-84-93(13BENZODIOXOL5YLOXYMETHYL)4PHENYL1H124TRIAZOLE5THIONE
5((13benzodioxol5yloxy)methyl)4phenyl24dihydro3H124triazole3thione
5((13BENZODIOXOL5YLOXY)METHYL)4PHENYL4H124TRIAZOLE3THIOL
5(2HBENZO(34D)13DIOXOLAN5YLOXYMETHYL)4PHENYL124TRIAZOLE3THIOL
609792849
C1OC2=C(O1)C=C(C=C2)OCC3=NNC(=S)N3C4=CC=CC=C4
InChI=1SC16H13N3O3Sc2316181715(19(16)114213511)92012671314(812)22102113h18H910H2(H1823)
MFCD04212364
S=c1(nH)nc(n1c1ccccc1)COc1ccc2c(c1)OCO2
ZINC000006492210
ZINC6492210
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