Vitas-M small molecule compound
3-{[1-(4-bromobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK315200
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)Nc1c(C)nn(c1C)Cc1ccc(cc1)Br
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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 C21H22BrN3O3 MW 444.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN3O3/c1-11-19(12(2)25(24-11)10-13-3-7-16(22)8-4-13)23-20(26)17-14-5-6-15(9-14)18(17)21(27)28/h3-8,14-15,17-18H,9-10H2,1-2H3,(H,23,26)(H,27,28)InChIKey
KPXZNHZJKZYRBU-UHFFFAOYSA-NSynonyms
1052557-51-31052557513
2((1((4bromophenyl)methyl)35dimethylpyrazol4yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((1(4bromobenzyl)35dimethyl1Hpyrazol4yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC21H22BrN3O3c11119(12(2)25(2411)10133716(22)8413)2320(26)17145615(914)18(17)21(27)28h3814151718H910H212H3(H2326)(H2728)
MFCD08554564
ZINC000102023605
ZINC000239128684
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