Vitas-M small molecule compound
4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-methoxyphenyl morpholine-4-carboxylate
Catalog ID
STK995982
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2C)c2nonc2N)ccc1OC(=O)N1CCOCC1
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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 C19H21N9O6 MW 471.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N9O6/c1-11-15(22-26-28(11)17-16(20)24-34-25-17)18(29)23-21-10-12-3-4-13(14(9-12)31-2)33-19(30)27-5-7-32-8-6-27/h3-4,9-10H,5-8H2,1-2H3,(H2,20,24)(H,23,29)/b21-10+InChIKey
KJBVOHVYCDVRCV-UFFVCSGVSA-NSynonyms
(4((E)((1(4amino125oxadiazol3yl)5methyltriazole4carbonyl)hydrazinylidene)methyl)2methoxyphenyl)morpholine4carboxylate
4((E)(2((1(4amino125oxadiazol3yl)5methyl1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2methoxyphenylmorpholine4carboxylate
CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=C(C=C3)OC(=O)N4CCOCC4)OC
COc1cc(C=NNC(=O)c2nnn(c2C)c2nonc2N)ccc1OC(=O)N1CCOCC1
InChI=1SC19H21N9O6c11115(222628(11)1716(20)24342517)18(29)232110123413(14(912)312)3319(30)2757328627h34910H58H212H3(H22024)(H2329)b2110+
MFCD03826560
ZINC000016265777
ZINC102978391
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