Vitas-M small molecule compound

5,5-diethyl-9-nitro-5H-isoindolo[2,1-a][3,1]benzoxazin-11(6aH)-one

Catalog ID
STK782586
SMILES CCC1(CC)OC2c3ccc(cc3C(=O)N2c2c1cccc2)[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 C19H18N2O4 MW 338.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O4/c1-3-19(4-2)15-7-5-6-8-16(15)20-17(22)14-11-12(21(23)24)9-10-13(14)18(20)25-19/h5-11,18H,3-4H2,1-2H3
InChIKey
RFQACLSHYIWOMK-UHFFFAOYSA-N
Synonyms

55diethyl9nitro5Hisoindolo(21a)(31)benzoxazin11(6aH)one
55DIETHYL9NITRO6AHISOINDOLO(23A)(31)BENZOXAZIN11ONE
CCC1(C2=CC=CC=C2N3C(O1)C4=C(C3=O)C=C(C=C4)(N+)(=O)(O))CC
CCC1(CC)OC2c3ccc(cc3C(=O)N2c2c1cccc2)(N+)(=O)(O)
InChI=1SC19H18N2O4c1319(42)15756816(15)2017(22)141112(21(23)24)91013(14)18(20)2519h51118H34H212H3
MFCD06017817
ZINC000004742803
ZINC000004742804

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Available files

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