Vitas-M small molecule compound

2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(3-nitrobenzylidene)hydrazinyl]carbonyl}-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide

Catalog ID
STL052837
SMILES O=C(c1nnn(c1CNc1ccccc1C(=O)N)c1nonc1N)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 C20H17N11O5 MW 491.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N11O5/c21-17-19(28-36-27-17)30-15(10-23-14-7-2-1-6-13(14)18(22)32)16(25-29-30)20(33)26-24-9-11-4-3-5-12(8-11)31(34)35/h1-9,23H,10H2,(H2,21,27)(H2,22,32)(H,26,33)/b24-9+
InChIKey
CRXQSONWVCOMRM-PGGKNCGUSA-N
Synonyms
714938-66-6
(E)2(((1(4amino125oxadiazol3yl)4(2(3nitrobenzylidene)hydrazinecarbonyl)1H123triazol5yl)methyl)amino)benzamide
1(4AMINO125OXADIAZOL3YL)5((2CARBAMOYLANILINO)METHYL)N((E)(3NITROPHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
2(((1(4amino125oxadiazol3yl)4(((2E)2(3nitrobenzylidene)hydrazinyl)carbonyl)1H123triazol5yl)methyl)amino)benzamide
714938666
C1=CC=C(C(=C1)C(=O)N)NCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC20H17N11O5c211719(28362717)3015(102314721613(14)18(22)32)16(252930)20(33)262491143512(811)31(34)35h1923H10H2(H22127)(H22232)(H2633)b249+
MFCD05686941
O=C(c1nnn(c1CNc1ccccc1C(=O)N)c1nonc1N)NN=Cc1cccc(c1)(N+)(=O)(O)
ZINC000001899021
ZINC33345877

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.