Vitas-M small molecule compound
1-(benzyloxy)-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide
Catalog ID
STL307861
SMILES [O-][N+]1=NC2C(N1OCc1ccccc1)CCCC2
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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 C13H17N3O2 MW 247.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O2/c17-16-14-12-8-4-5-9-13(12)15(16)18-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2InChIKey
NCRUWSXQSHNFIR-UHFFFAOYSA-NSynonyms
286409-92-5(3aR7aS)1(benzyloxy)3a45677ahexahydro1Hbenzo(d)(123)triazole2oxide
(O)(N+)1=N(C@H)2(C@@H)(N1OCc1ccccc1)CCCC2
(O)(N+)1=NC2C(N1OCc1ccccc1)CCCC2
1(benzyloxy)3a45677ahexahydro1Hbenzotriazole2oxide
286409925
2oxido1phenylmethoxy3a45677ahexahydrobenzotriazol2ium
C1CCC2C(C1)N=(N+)(N2OCC3=CC=CC=C3)(O)
InChI=1SC13H17N3O2c17161412845913(12)15(16)1810116213711h13671213H45810H2
MFCD28025051
ZINC000225408745
ZINC000225435045
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