Vitas-M small molecule compound

1-[2-nitro-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]azepane

Catalog ID
STK862691
SMILES [O-][N+](=O)c1cc(ccc1N1CCCCCC1)c1nnc(o1)c1ccccc1

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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 C20H20N4O3 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3/c25-24(26)18-14-16(10-11-17(18)23-12-6-1-2-7-13-23)20-22-21-19(27-20)15-8-4-3-5-9-15/h3-5,8-11,14H,1-2,6-7,12-13H2
InChIKey
BCDNKMOPTRZUAP-UHFFFAOYSA-N
Synonyms
355426-11-8
(O)(N+)(=O)c1cc(ccc1N1CCCCCC1)c1nnc(o1)c1ccccc1
1(2nitro4(5phenyl134oxadiazol2yl)phenyl)azepane
2(4(AZEPAN1YL)3NITROPHENYL)5PHENYL134OXADIAZOLE
355426118
5(4AZAPERHYDROEPINYL3NITROPHENYL)2PHENYL134OXADIAZOLE
C1CCCN(CC1)C2=C(C=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4)(N+)(=O)(O)
InChI=1SC20H20N4O3c2524(26)181416(101117(18)231261271323)20222119(2720)158435915h3581114H12671213H2
MFCD02376037
ZINC000003904835
ZINC03904835
ZINC3904835

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Available files

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