Vitas-M small molecule compound

4-chloro-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline

Catalog ID
STK837653
SMILES Clc1ccc(cc1)NCc1nnc2n1CCCCC2

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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 C14H17ClN4 MW 276.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17ClN4/c15-11-5-7-12(8-6-11)16-10-14-18-17-13-4-2-1-3-9-19(13)14/h5-8,16H,1-4,9-10H2
InChIKey
YQKRIMJFYVFGDR-UHFFFAOYSA-N
Synonyms
380157-81-3
(4CHLOROPHENYL)(5H6H7H8H9H124TRIAZOLO(45A)AZAPERHYDROEPIN3YLMETHYL)AMINE
380157813
4chloroN((6789tetrahydro5H(124)triazolo(43a)azepin3yl)methyl)aniline
4CHLORON(5H6H7H8H9H(124)TRIAZOLO(34A)AZEPIN3YLMETHYL)ANILINE
4chloroN(6789tetrahydro5H(124)triazolo(43a)azepin3ylmethyl)aniline
C1CCC2=NN=C(N2CC1)CNC3=CC=C(C=C3)Cl
InChI=1SC14H17ClN4c15115712(8611)1610141817134213919(13)14h5816H14910H2
MFCD02988186
ZINC000000390646
ZINC00390646
ZINC390646

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Available files

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