Vitas-M small molecule compound
3-{[1-(4-fluorobenzyl)-1H-pyrazol-3-yl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK467555
SMILES O=C(C1C2C=CC(C1C(=O)O)O2)Nc1ccn(n1)Cc1ccc(cc1)F
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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 C18H16FN3O4 MW 357.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16FN3O4/c19-11-3-1-10(2-4-11)9-22-8-7-14(21-22)20-17(23)15-12-5-6-13(26-12)16(15)18(24)25/h1-8,12-13,15-16H,9H2,(H,24,25)(H,20,21,23)InChIKey
IPAVQMVJBOUHJL-UHFFFAOYSA-NSynonyms
2((1((4fluorophenyl)methyl)pyrazol3yl)carbamoyl)7oxabicyclo(221)hept5ene3carboxylicacid
3((1(4fluorobenzyl)1Hpyrazol3yl)carbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
3(N(1((4FLUOROPHENYL)METHYL)PYRAZOL3YL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
C1=CC2C(C(C1O2)C(=O)NC3=NN(C=C3)CC4=CC=C(C=C4)F)C(=O)O
InChI=1SC18H16FN3O4c19113110(2411)9228714(2122)2017(23)15125613(2612)16(15)18(24)25h1812131516H9H2(H2425)(H202123)
MFCD06064896
ZINC000225750426
ZINC000245227518
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