Vitas-M small molecule compound

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

Catalog ID
STK545063
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)c1nnn(c1CN(C)C)c1nonc1N

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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 C17H19N9O4 MW 413.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N9O4/c1-25(2)9-12-13(20-24-26(12)15-14(18)22-30-23-15)16(27)21-19-8-10-4-6-11(7-5-10)17(28)29-3/h4-8H,9H2,1-3H3,(H2,18,22)(H,21,27)/b19-8+
InChIKey
HSUPVXQEPRVDHQ-UFWORHAWSA-N
Synonyms
497245-34-8
(E)methyl4((2(1(4amino125oxadiazol3yl)5((dimethylamino)methyl)1H123triazole4carbonyl)hydrazono)methyl)benzoate
497245348
CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=C(C=C3)C(=O)OC
COC(=O)c1ccc(cc1)C=NNC(=O)c1nnn(c1CN(C)C)c1nonc1N
InChI=1SC17H19N9O4c125(2)91213(202426(12)1514(18)22302315)16(27)21198104611(7510)17(28)293h48H9H213H3(H21822)(H2127)b198+
methyl4((E)((1(4amino125oxadiazol3yl)5((dimethylamino)methyl)triazole4carbonyl)hydrazinylidene)methyl)benzoate
METHYL4((E)((1(4AMINO125OXADIAZOL3YL)5(DIMETHYLAMINOMETHYL)TRIAZOLE4CARBONYL)HYDRAZINYLIDENE)METHYL)BENZOATE
methyl4((E)(2((1(4amino125oxadiazol3yl)5((dimethylamino)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)benzoate
MFCD03297968
ZINC000002284601
ZINC33352229

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Available files

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