Vitas-M small molecule compound

N-cycloheptyl-5-[(4-ethylphenyl)amino]-1H-1,2,3-triazole-4-carboxamide

Catalog ID
STL098569
SMILES CCc1ccc(cc1)Nc1[nH]nnc1C(=O)NC1CCCCCC1

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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 C18H25N5O MW 327.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N5O/c1-2-13-9-11-15(12-10-13)19-17-16(21-23-22-17)18(24)20-14-7-5-3-4-6-8-14/h9-12,14H,2-8H2,1H3,(H,20,24)(H2,19,21,22,23)
InChIKey
CBPTVQJIFAXQLF-UHFFFAOYSA-N
Synonyms

CCC1=CC=C(C=C1)NC2=NNN=C2C(=O)NC3CCCCCC3
CCc1ccc(cc1)Nc1(nH)nnc1C(=O)NC1CCCCCC1
InChI=1SC18H25N5Oc121391115(121013)191716(21232217)18(24)201475346814h91214H28H21H3(H2024)(H219212223)
MFCD18789812
Ncycloheptyl5((4ethylphenyl)amino)1H123triazole4carboxamide
Ncycloheptyl5(4ethylanilino)2Htriazole4carboxamide
ZINC000067283471
ZINC67283471

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Available files

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