Vitas-M small molecule compound
3-{[1-(4-fluorobenzyl)-1H-1,2,4-triazol-3-yl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK474427
SMILES O=C(C1C2C=CC(C1C(=O)O)O2)Nc1ncn(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 C17H15FN4O4 MW 358.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15FN4O4/c18-10-3-1-9(2-4-10)7-22-8-19-17(21-22)20-15(23)13-11-5-6-12(26-11)14(13)16(24)25/h1-6,8,11-14H,7H2,(H,24,25)(H,20,21,23)InChIKey
KWQHSPZZIPROAQ-UHFFFAOYSA-NSynonyms
2((1((4fluorophenyl)methyl)124triazol3yl)carbamoyl)7oxabicyclo(221)hept5ene3carboxylicacid
3((1(4fluorobenzyl)1H124triazol3yl)carbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
3(N(1((4FLUOROPHENYL)METHYL)124TRIAZOL3YL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
C1=CC2C(C(C1O2)C(=O)NC3=NN(C=N3)CC4=CC=C(C=C4)F)C(=O)O
InChI=1SC17H15FN4O4c1810319(2410)72281917(2122)2015(23)13115612(2611)14(13)16(24)25h1681114H7H2(H2425)(H202123)
MFCD07618122
ZINC000225784750
ZINC000239338646
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