Vitas-M small molecule compound

2-[1-(1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]tricyclo[3.3.1.1~3,7~]decan-2-amine

Catalog ID
STK507881
SMILES NC1(C2CC3CC1CC(C2)C3)c1nnnn1c1ccc2c(c1)OCO2

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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 C18H21N5O2 MW 339.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N5O2/c19-18(12-4-10-3-11(6-12)7-13(18)5-10)17-20-21-22-23(17)14-1-2-15-16(8-14)25-9-24-15/h1-2,8,10-13H,3-7,9,19H2
InChIKey
BHZFFSQHEPKWLC-UHFFFAOYSA-N
Synonyms

2(1(13BENZODIOXOL5YL)1HTETRAAZOL5YL)2ADAMANTYLAMINE
2(1(13benzodioxol5yl)1Htetrazol5yl)tricyclo(3311~37~)decan2amine
2(1(13benzodioxol5yl)tetrazol5yl)adamantan2amine
C1C2CC3CC1CC(C2)C3(C4=NN=NN4C5=CC6=C(C=C5)OCO6)N
InChI=1SC18H21N5O2c1918(12410311(612)713(18)510)1720212223(17)14121516(814)2592415h1281013H37919H2
MFCD13369800
ZINC000035615879
ZINC35615879

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.