Vitas-M small molecule compound
4-{[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]amino}-4-oxobutanoic acid
Catalog ID
STK450797
SMILES O=C(Nc1c(C)nn(c1C)Cc1cccc(c1)Oc1ccccc1)CCC(=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 C22H23N3O4 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4/c1-15-22(23-20(26)11-12-21(27)28)16(2)25(24-15)14-17-7-6-10-19(13-17)29-18-8-4-3-5-9-18/h3-10,13H,11-12,14H2,1-2H3,(H,23,26)(H,27,28)InChIKey
WOSIKKOPTJKCLS-UHFFFAOYSA-NSynonyms
3(N(35DIMETHYL1((3PHENOXYPHENYL)METHYL)PYRAZOL4YL)CARBAMOYL)PROPANOICACID
4((35DIMETHYL1((3PHENOXYPHENYL)METHYL)PYRAZOL4YL)AMINO)4OXOBUTANOICACID
4((35dimethyl1(3phenoxybenzyl)1Hpyrazol4yl)amino)4oxobutanoicacid
CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=O)CCC(=O)O
InChI=1SC22H23N3O4c11522(2320(26)111221(27)28)16(2)25(2415)1417761019(1317)29188435918h31013H111214H212H3(H2326)(H2728)
MFCD03070997
ZINC000001088149
ZINC1088149
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