Vitas-M small molecule compound

N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-tetrazol-5-yl)aniline

Catalog ID
STK689272
SMILES c1ccc(c(c1)NCc1ccc2c(c1)OCO2)c1[nH]nnn1

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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 C15H13N5O2 MW 295.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N5O2/c1-2-4-12(11(3-1)15-17-19-20-18-15)16-8-10-5-6-13-14(7-10)22-9-21-13/h1-7,16H,8-9H2,(H,17,18,19,20)
InChIKey
XWVAIEIAGNNXFM-UHFFFAOYSA-N
Synonyms

c1ccc(c(c1)NCc1ccc2c(c1)OCO2)c1(nH)nnn1
C1OC2=C(O1)C=C(C=C2)CNC3=CC=CC=C3C4=NNN=N4
InChI=1SC15H13N5O2c12412(11(31)151719201815)16810561314(710)2292113h1716H89H2(H17181920)
MFCD07800875
N(13benzodioxol5ylmethyl)2(1Htetrazol5yl)aniline
N(13BENZODIOXOL5YLMETHYL)2(2HTETRAZOL5YL)ANILINE
ZINC000006659211
ZINC6659211

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Available files

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