Vitas-M small molecule compound

methyl 3-[5-(2-aminotricyclo[3.3.1.1~3,7~]dec-2-yl)-1H-tetrazol-1-yl]benzoate

Catalog ID
STK507402
SMILES COC(=O)c1cccc(c1)n1nnnc1C1(N)C2CC3CC1CC(C2)C3

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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 C19H23N5O2 MW 353.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N5O2/c1-26-17(25)13-3-2-4-16(10-13)24-18(21-22-23-24)19(20)14-6-11-5-12(8-14)9-15(19)7-11/h2-4,10-12,14-15H,5-9,20H2,1H3
InChIKey
PLWVGRSBSSQAKX-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=CC=C1)N2C(=NN=N2)C3(C4CC5CC(C4)CC3C5)N
InChI=1SC19H23N5O2c12617(25)1332416(1013)2418(21222324)19(20)14611512(814)915(19)711h2410121415H5920H21H3
methyl3(5(2amino2adamantyl)tetrazol1yl)benzoate
methyl3(5(2aminotricyclo(3311~37~)dec2yl)1Htetrazol1yl)benzoate
MFCD13369333
ZINC000015414433
ZINC15414433

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Available files

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