Vitas-M small molecule compound
4-({2-methoxy-4-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy}methyl)benzonitrile
Catalog ID
STK249992
SMILES COc1cc(ccc1OCc1ccc(cc1)C#N)/C=C/c1onc(c1[N+](=O)[O-])C
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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 C21H17N3O5 MW 391.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5/c1-14-21(24(25)26)19(29-23-14)10-8-15-7-9-18(20(11-15)27-2)28-13-17-5-3-16(12-22)4-6-17/h3-11H,13H2,1-2H3/b10-8+InChIKey
HUUGLBSRXGBRRG-CSKARUKUSA-NSynonyms
4((2methoxy4((E)2(3methyl4nitro12oxazol5yl)ethenyl)phenoxy)methyl)benzonitrile
CC1=NOC(=C1(N+)(=O)(O))C=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C#N)OC
COc1cc(ccc1OCc1ccc(cc1)C#N)C=Cc1onc(c1(N+)(=O)(O))C
InChI=1SC21H17N3O5c11421(24(25)26)19(292314)108157918(20(1115)272)2813175316(1222)4617h311H13H212H3b108+
MFCD08677233
ZINC000009295511
ZINC09295511
ZINC9295511
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