Vitas-M small molecule compound
4-bromo-5-butyl-1H-pyrazole-3-carboxylic acid
Catalog ID
STL425606
SMILES CCCCc1c(Br)c(n[nH]1)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 C8H11BrN2O2 MW 247.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H11BrN2O2/c1-2-3-4-5-6(9)7(8(12)13)11-10-5/h2-4H2,1H3,(H,10,11)(H,12,13)InChIKey
OAQYEJMWZZYVGR-UHFFFAOYSA-NSynonyms
957129-40-74bromo3butyl1Hpyrazole5carboxylicacid
4bromo5butyl1Hpyrazole3carboxylicacid
957129407
CCCCC1=C(C(=NN1)C(=O)O)Br
CCCCc1c(Br)c(n(nH)1)C(=O)O
CCCCc1n(nH)c(c1Br)C(=O)O
InChI=1SC8H11BrN2O2c123456(9)7(8(12)13)11105h24H21H3(H1011)(H1213)
MFCD30710080
ZINC000028824284
ZINC28824284
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