Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(E)-(3-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STL049431
SMILES CN(C1CCCCC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccc(c1)[N+](=O)[O-]

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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 C20H24N10O4 MW 468.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N10O4/c1-28(14-7-3-2-4-8-14)12-16-17(23-27-29(16)19-18(21)25-34-26-19)20(31)24-22-11-13-6-5-9-15(10-13)30(32)33/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H2,21,25)(H,24,31)/b22-11+
InChIKey
XGHFIWOMZRLSKZ-SSDVNMTOSA-N
Synonyms
714919-79-6
(E)1(4amino125oxadiazol3yl)5((cyclohexyl(methyl)amino)methyl)N(3nitrobenzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5((cyclohexyl(methyl)amino)methyl)N((E)(3nitrophenyl)methylidene)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)5((CYCLOHEXYL(METHYL)AMINO)METHYL)N((E)(3NITROPHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
714919796
CN(C1CCCCC1)Cc1c(nnn1c1nonc1N)C(=O)NN=Cc1cccc(c1)(N+)(=O)(O)
CN(CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=CC=C3)(N+)(=O)(O))C4CCCCC4
InChI=1SC20H24N10O4c128(147324814)121617(232729(16)1918(21)25342619)20(31)2422111365915(1013)30(32)33h5691114H247812H21H3(H22125)(H2431)b2211+
MFCD05678164
ZINC000002444642
ZINC33372553

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Available files

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