Vitas-M small molecule compound

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

Catalog ID
STL347041
SMILES CN(C1CCCCC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)C(F)(F)F

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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 C21H24F3N9O2 MW 491.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24F3N9O2/c1-32(15-5-3-2-4-6-15)12-16-17(27-31-33(16)19-18(25)29-35-30-19)20(34)28-26-11-13-7-9-14(10-8-13)21(22,23)24/h7-11,15H,2-6,12H2,1H3,(H2,25,29)(H,28,34)/b26-11+
InChIKey
DHMBLOQCTOXXEV-KBKYJPHKSA-N
Synonyms
849007-57-4
(E)1(4amino125oxadiazol3yl)5((cyclohexyl(methyl)amino)methyl)N(4(trifluoromethyl)benzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5((cyclohexyl(methyl)amino)methyl)N((E)(4(trifluoromethyl)phenyl)methylidene)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)5((CYCLOHEXYL(METHYL)AMINO)METHYL)N((E)(4(TRIFLUOROMETHYL)PHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
849007574
CN(C1CCCCC1)Cc1c(nnn1c1nonc1N)C(=O)NN=Cc1ccc(cc1)C(F)(F)F
CN(CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=C(C=C3)C(F)(F)F)C4CCCCC4
InChI=1SC21H24F3N9O2c132(155324615)121617(273133(16)1918(25)29353019)20(34)282611137914(10813)21(2223)24h71115H2612H21H3(H22529)(H2834)b2611+
MFCD05680402
ZINC000002450854
ZINC33372839

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Available files

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