Vitas-M small molecule compound
3-{[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STL397723
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)Nc1c(C)nn(c1C)Cc1ccc(cc1)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 C22H25N3O3 MW 379.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3/c1-12-4-6-15(7-5-12)11-25-14(3)20(13(2)24-25)23-21(26)18-16-8-9-17(10-16)19(18)22(27)28/h4-9,16-19H,10-11H2,1-3H3,(H,23,26)(H,27,28)InChIKey
TUHARNJMIJNEJN-UHFFFAOYSA-NSynonyms
1053067-05-21053067052
2((35dimethyl1((4methylphenyl)methyl)pyrazol4yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((35DIMETHYL1(4METHYLBENZYL)1HPYRAZOL4YL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)C3C4CC(C3C(=O)O)C=C4)C
InChI=1SC22H25N3O3c1124615(7512)112514(3)20(13(2)2425)2321(26)18168917(1016)19(18)22(27)28h491619H1011H213H3(H2326)(H2728)
MFCD06063849
ZINC000101576990
ZINC000245240804
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