Vitas-M small molecule compound
7-methyl-5-nitro-2-(3,4,5-triethoxyphenyl)-1,3-benzoxazole
Catalog ID
STL355322
SMILES CCOc1cc(cc(c1OCC)OCC)c1nc2c(o1)c(C)cc(c2)[N+](=O)[O-]
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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 C20H22N2O6 MW 386.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O6/c1-5-25-16-9-13(10-17(26-6-2)19(16)27-7-3)20-21-15-11-14(22(23)24)8-12(4)18(15)28-20/h8-11H,5-7H2,1-4H3InChIKey
LLTOUWXLIMZSEW-UHFFFAOYSA-NSynonyms
7methyl5nitro2(345triethoxyphenyl)13benzoxazole
CCOC1=CC(=CC(=C1OCC)OCC)C2=NC3=C(O2)C(=CC(=C3)(N+)(=O)(O))C
CCOc1cc(cc(c1OCC)OCC)c1nc2c(o1)c(C)cc(c2)(N+)(=O)(O)
InChI=1SC20H22N2O6c152516913(1017(2662)19(16)2773)2021151114(22(23)24)812(4)18(15)2820h811H57H214H3
MFCD22548922
ZINC000085343021
ZINC85343021
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