Vitas-M small molecule compound
3-{[1-(3,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK450633
SMILES O=C(C1C2CCC(C1C(=O)O)O2)Nc1c(C)nn(c1C)Cc1ccc(c(c1)Cl)Cl
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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 C20H21Cl2N3O4 MW 438.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Cl2N3O4/c1-9-18(10(2)25(24-9)8-11-3-4-12(21)13(22)7-11)23-19(26)16-14-5-6-15(29-14)17(16)20(27)28/h3-4,7,14-17H,5-6,8H2,1-2H3,(H,23,26)(H,27,28)InChIKey
AERZNFQRFULWTE-UHFFFAOYSA-NSynonyms
490014-62-52((1((34DICHLOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)CARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
3((1(34dichlorobenzyl)35dimethyl1Hpyrazol4yl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
490014625
CC1=C(C(=NN1CC2=CC(=C(C=C2)Cl)Cl)C)NC(=O)C3C4CCC(C3C(=O)O)O4
InChI=1SC20H21Cl2N3O4c1918(10(2)25(249)8113412(21)13(22)711)2319(26)16145615(2914)17(16)20(27)28h3471417H568H212H3(H2326)(H2728)
MFCD03071018
ZINC000225617236
ZINC000238997318
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