Vitas-M small molecule compound
3-{[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL448411
SMILES Clc1ccc(cc1)n1nnc(c1C)C(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1
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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 C21H20ClN5O2 MW 409.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O2/c1-13-20(23-24-27(13)17-7-5-16(22)6-8-17)21(29)25-10-14-9-15(12-25)18-3-2-4-19(28)26(18)11-14/h2-8,14-15H,9-12H2,1H3InChIKey
ZDXJGNAWRHPJLG-UHFFFAOYSA-NSynonyms
3((1(4chlorophenyl)5methyl1H123triazol4yl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CC1=C(N=NN1C2=CC=C(C=C2)Cl)C(=O)N3CC4CC(C3)C5=CC=CC(=O)N5C4
InChI=1SC21H20ClN5O2c11320(232427(13)177516(22)6817)21(29)251014915(1225)1832419(28)26(18)1114h281415H912H21H3
MFCD07397452
ZINC000004942653
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Check stock on Vitas-MAvailable files
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