Vitas-M small molecule compound

N-(2-methoxyphenyl)-2-{1-[4-(propan-2-yl)phenyl]-1H-tetrazol-5-yl}tricyclo[3.3.1.1~3,7~]decan-2-amine

Catalog ID
STK507407
SMILES COc1ccccc1NC1(C2CC3CC1CC(C2)C3)c1nnnn1c1ccc(cc1)C(C)C

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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 C27H33N5O MW 443.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N5O/c1-17(2)20-8-10-23(11-9-20)32-26(29-30-31-32)27(28-24-6-4-5-7-25(24)33-3)21-13-18-12-19(15-21)16-22(27)14-18/h4-11,17-19,21-22,28H,12-16H2,1-3H3
InChIKey
JILXQNIXJIGORQ-UHFFFAOYSA-N
Synonyms

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)C3(C4CC5CC(C4)CC3C5)NC6=CC=CC=C6OC
InChI=1SC27H33N5Oc117(2)2081023(11920)3226(29303132)27(2824645725(24)333)2113181219(1521)1622(27)1418h4111719212228H1216H213H3
MFCD13369338
N(2methoxyphenyl)2(1(4(propan2yl)phenyl)1Htetrazol5yl)tricyclo(3311~37~)decan2amine
N(2methoxyphenyl)2(1(4propan2ylphenyl)tetrazol5yl)adamantan2amine
ZINC000035170763
ZINC35170763

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Available files

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