Vitas-M small molecule compound
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STL367681
SMILES Sc1nnc(n1c1ccccc1)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 C18H17N3O2S MW 339.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O2S/c24-18-20-19-17(21(18)14-5-2-1-3-6-14)12-13-7-8-15-16(11-13)23-10-4-9-22-15/h1-3,5-8,11H,4,9-10,12H2,(H,20,24)InChIKey
BBRADUJJJCZPOS-UHFFFAOYSA-NSynonyms
3(34dihydro2H15benzodioxepin7ylmethyl)4phenyl1H124triazole5thione
5(34dihydro2H15benzodioxepin7ylmethyl)4phenyl4H124triazole3thiol
C1COC2=C(C=C(C=C2)CC3=NNC(=S)N3C4=CC=CC=C4)OC1
InChI=1SC18H17N3O2Sc2418201917(21(18)145213614)1213781516(1113)2310492215h135811H491012H2(H2024)
MFCD27966541
ZINC000098063806
ZINC98063806
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