Vitas-M small molecule compound
1-methoxy-5-methyl-4-[(E)-2-nitroethenyl]-2-(propan-2-yl)benzene
Catalog ID
STL375760
SMILES COc1cc(C)c(cc1C(C)C)/C=C/[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 C13H17NO3 MW 235.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17NO3/c1-9(2)12-8-11(5-6-14(15)16)10(3)7-13(12)17-4/h5-9H,1-4H3/b6-5+InChIKey
VDUZJBFFBUUDNH-AATRIKPKSA-NSynonyms
1methoxy5methyl4((E)2nitroethenyl)2(propan2yl)benzene
1METHOXY5METHYL4((E)2NITROETHENYL)2PROPAN2YLBENZENE
CC1=CC(=C(C=C1C=C(N+)(=O)(O))C(C)C)OC
COc1cc(C)c(cc1C(C)C)C=C(N+)(=O)(O)
InChI=1SC13H17NO3c19(2)12811(5614(15)16)10(3)713(12)174h59H14H3b65+
MFCD02300266
ZINC000000476465
ZINC00476465
ZINC476465
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