Vitas-M small molecule compound
6-{[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK317295
SMILES O=C(C1CC=CCC1C(=O)O)Nc1c(C)nn(c1C)Cc1cccc(c1)Oc1ccccc1
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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 C26H27N3O4 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4/c1-17-24(27-25(30)22-13-6-7-14-23(22)26(31)32)18(2)29(28-17)16-19-9-8-12-21(15-19)33-20-10-4-3-5-11-20/h3-12,15,22-23H,13-14,16H2,1-2H3,(H,27,30)(H,31,32)InChIKey
OCVHAAHRTWPZHY-UHFFFAOYSA-NSynonyms
1005687-81-91005687819
6((35dimethyl1((3phenoxyphenyl)methyl)pyrazol4yl)carbamoyl)cyclohex3ene1carboxylicacid
6((35dimethyl1(3phenoxybenzyl)1Hpyrazol4yl)carbamoyl)cyclohex3ene1carboxylicacid
CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=O)C4CC=CCC4C(=O)O
InChI=1SC26H27N3O4c11724(2725(30)2213671423(22)26(31)32)18(2)29(2817)1619981221(1519)3320104351120h312152223H131416H212H3(H2730)(H3132)
MFCD06063868
ZINC000012649718
ZINC000012649730
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