Vitas-M small molecule compound
1-(butan-2-yl)-4-chloro-1H-pyrazole-5-carboxylic acid
Catalog ID
STL414493
SMILES CC(n1ncc(c1C(=O)O)Cl)CC
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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 C8H11ClN2O2 MW 202.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H11ClN2O2/c1-3-5(2)11-7(8(12)13)6(9)4-10-11/h4-5H,3H2,1-2H3,(H,12,13)InChIKey
YNGLSEGRQVBPLM-UHFFFAOYSA-NSynonyms
1006493-92-01(butan2yl)4chloro1Hpyrazole5carboxylicacid
1006493920
1HPYRAZOLE5CARBOXYLICACID4CHLORO1(1METHYLPROPYL)
1SECBUTYL4CHLORO1HPYRAZOLE5CARBOXYLICACID
2butan2yl4chloropyrazole3carboxylicacid
4CHLORO1(METHYLPROPYL)PYRAZOLE5CARBOXYLICACID
CCC(C)N1C(=C(C=N1)Cl)C(=O)O
InChI=1SC8H11ClN2O2c135(2)117(8(12)13)6(9)41011h45H3H212H3(H1213)
MFCD06805238
ZINC000020313825
ZINC000020313829
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