Vitas-M small molecule compound

2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid

Catalog ID
STK312122
SMILES CCC(n1nc(c(c1C)Cl)C)C(=O)O

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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 C9H13ClN2O2 MW 216.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H13ClN2O2/c1-4-7(9(13)14)12-6(3)8(10)5(2)11-12/h7H,4H2,1-3H3,(H,13,14)
InChIKey
VNDONJWLQOJHSX-UHFFFAOYSA-N
Synonyms
1005631-38-8
1005631388
2(4chloro35dimethyl1Hpyrazol1yl)butanoicacid
2(4chloro35dimethylpyrazol1yl)butanoicacid
2(4CHLORO35DIMETHYLPYRAZOL1YL)BUTYRICACID
2(4CHLORO35DIMETHYLPYRAZOLYL)BUTANOICACID
CCC(C(=O)O)N1C(=C(C(=N1)C)Cl)C
InChI=1SC9H13ClN2O2c147(9(13)14)126(3)8(10)5(2)1112h7H4H213H3(H1314)
MFCD04967806
ZINC000002535190
ZINC000002731870

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Available files

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