Vitas-M small molecule compound

5-methyl-1-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]-1H-pyrazol-3-amine

Catalog ID
STK510363
SMILES CCC(c1nnc2n1CCCCC2)n1nc(cc1C)N

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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 C14H22N6 MW 274.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H22N6/c1-3-11(20-10(2)9-12(15)18-20)14-17-16-13-7-5-4-6-8-19(13)14/h9,11H,3-8H2,1-2H3,(H2,15,18)
InChIKey
XPASYKRTTCTJMN-UHFFFAOYSA-N
Synonyms
1174852-26-6
1(5H6H7H8H9H124TRIAZOLO(45A)AZAPERHYDROEPIN3YLPROPYL)5METHYLPYRAZOLE3YLAMINE
1174852266
5methyl1(1(6789tetrahydro5H(124)triazolo(43a)azepin3yl)propyl)1Hpyrazol3amine
5methyl1(1(6789tetrahydro5H(124)triazolo(43a)azepin3yl)propyl)pyrazol3amine
CCC(C1=NN=C2N1CCCCC2)N3C(=CC(=N3)N)C
InChI=1SC14H22N6c1311(2010(2)912(15)1820)141716137546819(13)14h911H38H212H3(H21518)
MFCD12405282
ZINC000035655670
ZINC000035655671

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Available files

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