Vitas-M small molecule compound
(2Z)-3-{3-ethoxy-4-[(4-methyl-2-oxido-1,2,5-oxadiazol-3-yl)methoxy]phenyl}-2-(4-nitrophenyl)prop-2-enenitrile
Catalog ID
STK763046
SMILES CCOc1cc(ccc1OCc1c(C)no[n+]1[O-])/C=C(/c1ccc(cc1)[N+](=O)[O-])\C#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 C21H18N4O6 MW 422.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O6/c1-3-29-21-11-15(4-9-20(21)30-13-19-14(2)23-31-25(19)28)10-17(12-22)16-5-7-18(8-6-16)24(26)27/h4-11H,3,13H2,1-2H3/b17-10+InChIKey
BPKHRLGWVWLHOF-LICLKQGHSA-NSynonyms
(2Z)3(3ethoxy4((4methyl2oxido125oxadiazol3yl)methoxy)phenyl)2(4nitrophenyl)prop2enenitrile
(Z)3(3ETHOXY4((4METHYL2OXIDO125OXADIAZOL2IUM3YL)METHOXY)PHENYL)2(4NITROPHENYL)PROP2ENENITRILE
CCOC1=C(C=CC(=C1)C=C(C#N)C2=CC=C(C=C2)(N+)(=O)(O))OCC3=(N+)(ON=C3C)(O)
CCOc1cc(ccc1OCc1c(C)no(n+)1(O))C=C(c1ccc(cc1)(N+)(=O)(O))C#N
InChI=1SC21H18N4O6c1329211115(4920(21)30131914(2)233125(19)28)1017(1222)165718(8616)24(26)27h411H313H212H3b1710+
MFCD02039663
ZINC000003671665
ZINC03671665
ZINC3671665
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