Vitas-M small molecule compound
azepan-1-yl{5-[(3,4-dimethylphenyl)amino]-1H-1,2,3-triazol-4-yl}methanone
Catalog ID
STL098887
SMILES O=C(c1nn[nH]c1Nc1ccc(c(c1)C)C)N1CCCCCC1
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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 C17H23N5O MW 313.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23N5O/c1-12-7-8-14(11-13(12)2)18-16-15(19-21-20-16)17(23)22-9-5-3-4-6-10-22/h7-8,11H,3-6,9-10H2,1-2H3,(H2,18,19,20,21)InChIKey
KRYHYMMRAVKZQV-UHFFFAOYSA-NSynonyms
azepan1yl(5((34dimethylphenyl)amino)1H123triazol4yl)methanone
azepan1yl(5(34dimethylanilino)2Htriazol4yl)methanone
CC1=C(C=C(C=C1)NC2=NNN=C2C(=O)N3CCCCCC3)C
InChI=1SC17H23N5Oc1127814(1113(12)2)181615(19212016)17(23)22953461022h7811H36910H212H3(H218192021)
MFCD18790130
O=C(c1nn(nH)c1Nc1ccc(c(c1)C)C)N1CCCCCC1
ZINC000067284501
ZINC67284501
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