Vitas-M small molecule compound
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STL367679
SMILES CCn1c(nnc1S)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 C14H17N3O2S MW 291.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O2S/c1-2-17-13(15-16-14(17)20)9-10-4-5-11-12(8-10)19-7-3-6-18-11/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,20)InChIKey
YNPXRKICTAYUTC-UHFFFAOYSA-NSynonyms
3(34dihydro2H15benzodioxepin7ylmethyl)4ethyl1H124triazole5thione
5(34dihydro2H15benzodioxepin7ylmethyl)4ethyl4H124triazole3thiol
CCN1C(=NNC1=S)CC2=CC3=C(C=C2)OCCCO3
InChI=1SC14H17N3O2Sc121713(151614(17)20)910451112(810)197361811h458H23679H21H3(H1620)
MFCD27966539
ZINC000098063804
ZINC98063804
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