Vitas-M small molecule compound
5-[(E)-2-(3-iodo-5-methoxy-4-propoxyphenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
Catalog ID
STL376622
SMILES CCCOc1c(I)cc(cc1OC)/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 C16H17IN2O5 MW 444.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17IN2O5/c1-4-7-23-16-12(17)8-11(9-14(16)22-3)5-6-13-15(19(20)21)10(2)18-24-13/h5-6,8-9H,4,7H2,1-3H3/b6-5+InChIKey
XKUGQXNGIHIUKB-AATRIKPKSA-NSynonyms
5((E)2(3iodo5methoxy4propoxyphenyl)ethenyl)3methyl4nitro12oxazole
CCCOC1=C(C=C(C=C1I)C=CC2=C(C(=NO2)C)(N+)(=O)(O))OC
CCCOc1c(I)cc(cc1OC)C=Cc1onc(c1(N+)(=O)(O))C
InChI=1SC16H17IN2O5c147231612(17)811(914(16)223)561315(19(20)21)10(2)182413h5689H47H213H3b65+
MFCD07178743
ZINC000009235841
ZINC09235841
ZINC9235841
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