Vitas-M small molecule compound

5-amino-1-(hexan-2-yl)-1,2-dihydro-3H-pyrazol-3-one

Catalog ID
STL053935
SMILES CC(n1c(N)cc(=O)[nH]1)CCCC

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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 C9H17N3O MW 183.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H17N3O/c1-3-4-5-7(2)12-8(10)6-9(13)11-12/h6-7H,3-5,10H2,1-2H3,(H,11,13)
InChIKey
NEUXVMPKJSEZDF-UHFFFAOYSA-N
Synonyms
714920-54-4
3AMINO2HEXAN2YL1HPYRAZOL5ONE
5AMINO1((2R)HEXAN2YL)12DIHYDRO3HPYRAZOL3ONE
5AMINO1((2S)HEXAN2YL)12DIHYDRO3HPYRAZOL3ONE
5AMINO1(1METHYLPENTYL)1HPYRAZOL3OL
5amino1(hexan2yl)12dihydro3Hpyrazol3one
714920544
CC(n1c(N)cc(=O)(nH)1)CCCC
CCCCC(C)N1C(=CC(=O)N1)N
InChI=1SC9H17N3Oc13457(2)128(10)69(13)1112h67H3510H212H3(H1113)
MFCD05733099
ZINC000002605595
ZINC000002605596

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Available files

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