Vitas-M small molecule compound
3-{[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK315303
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)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 C27H27N3O4 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4/c1-16-25(28-26(31)23-19-11-12-20(14-19)24(23)27(32)33)17(2)30(29-16)15-18-7-6-10-22(13-18)34-21-8-4-3-5-9-21/h3-13,19-20,23-24H,14-15H2,1-2H3,(H,28,31)(H,32,33)InChIKey
TWCJORORZJHYNN-UHFFFAOYSA-NSynonyms
1052558-83-41052558834
2((35dimethyl1((3phenoxyphenyl)methyl)pyrazol4yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((35dimethyl1(3phenoxybenzyl)1Hpyrazol4yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=O)C4C5CC(C4C(=O)O)C=C5
InChI=1SC27H27N3O4c11625(2826(31)2319111220(1419)24(23)27(32)33)17(2)30(2916)1518761022(1318)34218435921h31319202324H1415H212H3(H2831)(H3233)
MFCD06064058
ZINC000102024000
ZINC000245328189
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