Vitas-M small molecule compound
4-chloro-5-(3-methylbutyl)-1H-pyrazole-3-carboxylic acid
Catalog ID
STL314372
SMILES CC(CCc1[nH]nc(c1Cl)C(=O)O)C
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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/c1-5(2)3-4-6-7(10)8(9(13)14)12-11-6/h5H,3-4H2,1-2H3,(H,11,12)(H,13,14)InChIKey
CTRWWACYUHKWBN-UHFFFAOYSA-NSynonyms
1489257-81-91489257819
4chloro3isopentyl1Hpyrazole5carboxylicacid
4chloro5(3methylbutyl)1Hpyrazole3carboxylicacid
CC(C)CCC1=C(C(=NN1)C(=O)O)Cl
CC(CCc1(nH)nc(c1Cl)C(=O)O)C
CC(CCc1n(nH)c(c1Cl)C(=O)O)C
InChI=1SC9H13ClN2O2c15(2)3467(10)8(9(13)14)12116h5H34H212H3(H1112)(H1314)
MFCD28030660
ZINC000085863777
ZINC85863777
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