Vitas-M small molecule compound
methyl 4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(propan-2-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]benzoate
Catalog ID
STL003201
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)c1nnn(c1C(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 C17H18N8O4 MW 398.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N8O4/c1-9(2)13-12(20-24-25(13)15-14(18)22-29-23-15)16(26)21-19-8-10-4-6-11(7-5-10)17(27)28-3/h4-9H,1-3H3,(H2,18,22)(H,21,26)/b19-8+InChIKey
DIGHMJFFLSLJFP-UFWORHAWSA-NSynonyms
573949-89-0(E)methyl4((2(1(4amino125oxadiazol3yl)5isopropyl1H123triazole4carbonyl)hydrazono)methyl)benzoate
573949890
CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=C(C=C3)C(=O)OC
COC(=O)c1ccc(cc1)C=NNC(=O)c1nnn(c1C(C)C)c1nonc1N
InChI=1SC17H18N8O4c19(2)1312(202425(13)1514(18)22292315)16(26)21198104611(7510)17(27)283h49H13H3(H21822)(H2126)b198+
METHYL4((E)((1(4AMINO125OXADIAZOL3YL)5PROPAN2YLTRIAZOLE4CARBONYL)HYDRAZINYLIDENE)METHYL)BENZOATE
methyl4((E)(2((1(4amino125oxadiazol3yl)5(propan2yl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)benzoate
MFCD04021321
ZINC000002246076
ZINC33351492
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