Vitas-M small molecule compound
2-(4-fluorophenyl)-5-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-2H-1,2,3-triazole-4-carbonitrile
Catalog ID
STL437835
SMILES N#Cc1nn(nc1N1CC2CC(C1)c1n(C2)c(=O)ccc1)c1ccc(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 C20H17FN6O MW 376.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17FN6O/c21-15-4-6-16(7-5-15)27-23-17(9-22)20(24-27)25-10-13-8-14(12-25)18-2-1-3-19(28)26(18)11-13/h1-7,13-14H,8,10-12H2InChIKey
NTUVKUHDOKPWMT-UHFFFAOYSA-NSynonyms
2(4fluorophenyl)5(8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)2H123triazole4carbonitrile
C1C2CN(CC1C3=CC=CC(=O)N3C2)C4=NN(N=C4C#N)C5=CC=C(C=C5)F
InChI=1SC20H17FN6Oc21154616(7515)272317(922)20(2427)251013814(1225)1821319(28)26(18)1113h171314H81012H2
MFCD13806974
ZINC000033429139
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