Vitas-M small molecule compound

3-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenolate

Catalog ID
STL051022
SMILES CN(C1CCCCC1)Cc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1cccc(c1)[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 C20H25N9O3 MW 439.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N9O3/c1-28(14-7-3-2-4-8-14)12-16-17(23-27-29(16)19-18(21)25-32-26-19)20(31)24-22-11-13-6-5-9-15(30)10-13/h5-6,9-11,14,30H,2-4,7-8,12H2,1H3,(H2,21,25)(H,24,31)/b22-11+
InChIKey
RSLYKCNOWGNSIN-SSDVNMTOSA-N
Synonyms
861633-33-2
1(4AMINO125OXADIAZOL3YL)5((CYCLOHEXYL(METHYL)AMINO)METHYL)N((E)(3HYDROXYPHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
3((E)((1(4azaniumyl125oxadiazol3yl)5((cyclohexyl(methyl)amino)methyl)triazole4carbonyl)hydrazinylidene)methyl)phenolate
3((E)(2((1(4ammonio125oxadiazol3yl)5((cyclohexyl(methyl)amino)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)phenolate
861633332
CN(C1CCCCC1)Cc1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1cccc(c1)(O)
CN(CC1=C(N=NN1C2=NON=C2(NH3+))C(=O)NN=CC3=CC(=CC=C3)(O))C4CCCCC4
InChI=1SC20H25N9O3c128(147324814)121617(232729(16)1918(21)25322619)20(31)2422111365915(30)1013h569111430H247812H21H3(H22125)(H2431)b2211+
MFCD05685009
ZINC000002596317
ZINC33374540

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Available files

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