Vitas-M small molecule compound
1-methyl-4-nitro-7-(prop-2-en-1-yl)-1H-benzo[b]furo[4,3,2-ef][1]benzoxepine
Catalog ID
STK784448
SMILES C=CCc1cccc2c1Oc1cc(cc3c1C(=C2)C(O3)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 C19H15NO4 MW 321.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15NO4/c1-3-5-12-6-4-7-13-8-15-11(2)23-16-9-14(20(21)22)10-17(18(15)16)24-19(12)13/h3-4,6-11H,1,5H2,2H3InChIKey
HPQVBLAIMIUFKG-UHFFFAOYSA-NSynonyms
1methyl4nitro7(prop2en1yl)1Hbenzo(b)furo(432ef)(1)benzoxepine
C=CCc1cccc2c1Oc1cc(cc3c1C(=C2)C(O3)C)(N+)(=O)(O)
CC1C2=CC3=C(C(=CC=C3)CC=C)OC4=C2C(=CC(=C4)(N+)(=O)(O))O1
InChI=1SC19H15NO4c135126471381511(2)2316914(20(21)22)1017(18(15)16)2419(12)13h34611H15H22H3
MFCD07022298
ZINC000004770040
ZINC000004770042
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