Vitas-M small molecule compound

4-bromo-3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid

Catalog ID
STL159418
SMILES OC(=O)c1n(C)nc(c1Br)C(C)(C)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 C9H13BrN2O2 MW 261.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H13BrN2O2/c1-9(2,3)7-5(10)6(8(13)14)12(4)11-7/h1-4H3,(H,13,14)
InChIKey
ZJNCIKRITSLLBL-UHFFFAOYSA-N
Synonyms
685513-52-4
3(TERTBUTYL)4BROMO1METHYLPYRAZOLE5CARBOXYLICACID
4BROMO3(TERTBUTYL)1METHYL1HPYRAZOLE5CARBOXYLICACID
4bromo3tertbutyl1methyl1Hpyrazole5carboxylicacid
4bromo5tertbutyl2methylpyrazole3carboxylicacid
685513524
CC(C)(C)C1=NN(C(=C1Br)C(=O)O)C
InChI=1SC9H13BrN2O2c19(23)75(10)6(8(13)14)12(4)117h14H3(H1314)
MFCD17193013
ZINC000049538584
ZINC49538584

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Available files

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