Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,5-dichloro-2-methoxyphenyl)methylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK556760
SMILES COc1c(/C=N/NC(=O)c2nnn(c2CN(C)C)c2nonc2N)cc(cc1Cl)Cl

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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 C16H17Cl2N9O3 MW 454.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17Cl2N9O3/c1-26(2)7-11-12(21-25-27(11)15-14(19)23-30-24-15)16(28)22-20-6-8-4-9(17)5-10(18)13(8)29-3/h4-6H,7H2,1-3H3,(H2,19,23)(H,22,28)/b20-6+
InChIKey
WOYZAZJNQGKGNB-CGOBSMCZSA-N
Synonyms
573936-88-6
(E)1(4amino125oxadiazol3yl)N(35dichloro2methoxybenzylidene)5((dimethylamino)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(35dichloro2methoxyphenyl)methylidene)5((dimethylamino)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(35dichloro2methoxyphenyl)methylideneamino)5((dimethylamino)methyl)triazole4carboxamide
1(4AMINO125OXADIAZOL3YL)N((E)(35DICHLORO2METHOXYPHENYL)METHYLIDENEAMINO)5(DIMETHYLAMINOMETHYL)TRIAZOLE4CARBOXAMIDE
573936886
CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=CC(=C3OC)Cl)Cl
COc1c(C=NNC(=O)c2nnn(c2CN(C)C)c2nonc2N)cc(cc1Cl)Cl
InChI=1SC16H17Cl2N9O3c126(2)71112(212527(11)1514(19)23302415)16(28)22206849(17)510(18)13(8)293h46H7H213H3(H21923)(H2228)b206+
MFCD03339419
ZINC000002207527
ZINC33350413

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Available files

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