Vitas-M small molecule compound
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK451097
SMILES OC(=O)C1C2CCC(C1C(=O)n1nc(c(c1C)Br)C)O2
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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 C13H15BrN2O4 MW 343.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15BrN2O4/c1-5-11(14)6(2)16(15-5)12(17)9-7-3-4-8(20-7)10(9)13(18)19/h7-10H,3-4H2,1-2H3,(H,18,19)InChIKey
HVVKFOQIMSDSBK-UHFFFAOYSA-NSynonyms
2(4BROMO35DIMETHYLPYRAZOLE1CARBONYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
3((4bromo35dimethyl1Hpyrazol1yl)carbonyl)7oxabicyclo(221)heptane2carboxylicacid
3((4BROMO35DIMETHYLPYRAZOLYL)CARBONYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
CC1=C(C(=NN1C(=O)C2C3CCC(C2C(=O)O)O3)C)Br
InChI=1SC13H15BrN2O4c1511(14)6(2)16(155)12(17)97348(207)10(9)13(18)19h710H34H212H3(H1819)
MFCD03072017
ZINC000225626391
ZINC000239309796
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