Vitas-M small molecule compound
(2E)-2-cyano-3-{3-methoxy-4-[(4-methyl-2-oxido-1,2,5-oxadiazol-3-yl)methoxy]phenyl}prop-2-enamide
Catalog ID
STK763048
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCc1c(C)no[n+]1[O-])/C(=O)N
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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 C15H14N4O5 MW 330.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N4O5/c1-9-12(19(21)24-18-9)8-23-13-4-3-10(6-14(13)22-2)5-11(7-16)15(17)20/h3-6H,8H2,1-2H3,(H2,17,20)/b11-5+InChIKey
BULDUQJRTJUHPQ-VZUCSPMQSA-NSynonyms
(2E)2cyano3(3methoxy4((4methyl2oxido125oxadiazol3yl)methoxy)phenyl)prop2enamide
(E)2CYANO3(3METHOXY4((4METHYL2OXIDO125OXADIAZOL2IUM3YL)METHOXY)PHENYL)PROP2ENAMIDE
CC1=NO(N+)(=C1COC2=C(C=C(C=C2)C=C(C#N)C(=O)N)OC)(O)
InChI=1SC15H14N4O5c1912(19(21)24189)823134310(614(13)222)511(716)15(17)20h36H8H212H3(H21720)b115+
MFCD02646744
N#CC(=Cc1ccc(c(c1)OC)OCc1c(C)no(n+)1(O))C(=O)N
ZINC000000085731
ZINC00085731
ZINC85731
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