Vitas-M small molecule compound

1-(1,3-benzodioxol-5-yl)-N-{3-ethoxy-4-[(1-phenyl-1H-tetrazol-5-yl)oxy]benzyl}methanamine

Catalog ID
STK257502
SMILES CCOc1cc(CNCc2ccc3c(c2)OCO3)ccc1Oc1nnnn1c1ccccc1

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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 C24H23N5O4 MW 445.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N5O4/c1-2-30-23-13-18(15-25-14-17-8-10-20-22(12-17)32-16-31-20)9-11-21(23)33-24-26-27-28-29(24)19-6-4-3-5-7-19/h3-13,25H,2,14-16H2,1H3
InChIKey
NMUBJKWMVVHXBY-UHFFFAOYSA-N
Synonyms

1(13benzodioxol5yl)N((3ethoxy4(1phenyltetrazol5yl)oxyphenyl)methyl)methanamine
1(13benzodioxol5yl)N(3ethoxy4((1phenyl1Htetrazol5yl)oxy)benzyl)methanamine
CCOC1=C(C=CC(=C1)CNCC2=CC3=C(C=C2)OCO3)OC4=NN=NN4C5=CC=CC=C5
InChI=1SC24H23N5O4c1230231318(152514178102022(1217)32163120)91121(23)332426272829(24)196435719h31325H21416H21H3
MFCD08544713
N(13BENZODIOXOL5YLMETHYL)N(3ETHOXY4((1PHENYL1HTETRAAZOL5YL)OXY)BENZYL)AMINE
ZINC000009356193
ZINC9356193

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Available files

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