Vitas-M small molecule compound
4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL367676
SMILES Sc1nnc(n1C1CC1)c1ccc2c(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 C14H15N3O2S MW 289.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N3O2S/c20-14-16-15-13(17(14)10-3-4-10)9-2-5-11-12(8-9)19-7-1-6-18-11/h2,5,8,10H,1,3-4,6-7H2,(H,16,20)InChIKey
NKBKYGIRTNMISO-UHFFFAOYSA-NSynonyms
4cyclopropyl3(34dihydro2H15benzodioxepin7yl)1H124triazole5thione
4cyclopropyl5(34dihydro2H15benzodioxepin7yl)4H124triazole3thiol
C1COC2=C(C=C(C=C2)C3=NNC(=S)N3C4CC4)OC1
InChI=1SC14H15N3O2Sc2014161513(17(14)103410)9251112(89)197161811h25810H13467H2(H1620)
MFCD27966536
ZINC000098063801
ZINC98063801
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