Vitas-M small molecule compound
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STL367674
SMILES Cn1c(S)nnc1c1ccc2c(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 C12H13N3O2S MW 263.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O2S/c1-15-11(13-14-12(15)18)8-3-4-9-10(7-8)17-6-2-5-16-9/h3-4,7H,2,5-6H2,1H3,(H,14,18)InChIKey
DIXVECIAWIGXKG-UHFFFAOYSA-NSynonyms
3(34dihydro2H15benzodioxepin7yl)4methyl1H124triazole5thione
5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazole3thiol
CN1C(=NNC1=S)C2=CC3=C(C=C2)OCCCO3
InChI=1SC12H13N3O2Sc11511(131412(15)18)834910(78)17625169h347H256H21H3(H1418)
MFCD27966534
ZINC000076361558
ZINC76361558
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