Vitas-M small molecule compound
3-{[1-(naphthalen-1-ylmethyl)-1H-pyrazol-4-yl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK466951
SMILES O=C(C1C2C=CC(C1C(=O)O)O2)Nc1cnn(c1)Cc1cccc2c1cccc2
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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 C22H19N3O4 MW 389.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O4/c26-21(19-17-8-9-18(29-17)20(19)22(27)28)24-15-10-23-25(12-15)11-14-6-3-5-13-4-1-2-7-16(13)14/h1-10,12,17-20H,11H2,(H,24,26)(H,27,28)InChIKey
NGEGGVYNURDQQT-UHFFFAOYSA-NSynonyms
2((1(naphthalen1ylmethyl)pyrazol4yl)carbamoyl)7oxabicyclo(221)hept5ene3carboxylicacid
3((1(naphthalen1ylmethyl)1Hpyrazol4yl)carbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
3(N(1(NAPHTHYLMETHYL)PYRAZOL4YL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
C1=CC=C2C(=C1)C=CC=C2CN3C=C(C=N3)NC(=O)C4C5C=CC(C4C(=O)O)O5
InChI=1SC22H19N3O4c2621(19178918(2917)20(19)22(27)28)2415102325(1215)111463513412716(13)14h110121720H11H2(H2426)(H2728)
MFCD06143698
ZINC000225747402
ZINC000239164975
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