Vitas-M small molecule compound

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

Catalog ID
STK782584
SMILES O=C1c2cc(ccc2C2N1c1ccccc1C(O2)(c1ccccc1)c1ccccc1)[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 C27H18N2O4 MW 434.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18N2O4/c30-25-22-17-20(29(31)32)15-16-21(22)26-28(25)24-14-8-7-13-23(24)27(33-26,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,26H
InChIKey
YBCFEDVIRQOXIG-UHFFFAOYSA-N
Synonyms

9nitro55diphenyl5Hisoindolo(21a)(31)benzoxazin11(6aH)one
9NITRO55DIPHENYL6AHISOINDOLO(23A)(31)BENZOXAZIN11ONE
C1=CC=C(C=C1)C2(C3=CC=CC=C3N4C(O2)C5=C(C4=O)C=C(C=C5)(N+)(=O)(O))C6=CC=CC=C6
InChI=1SC27H18N2O4c3025221720(29(31)32)151621(22)2628(25)2414871323(24)27(33261893141018)19115261219h11726H
MFCD06017815
O=C1c2cc(ccc2C2N1c1ccccc1C(O2)(c1ccccc1)c1ccccc1)(N+)(=O)(O)
ZINC000012376046
ZINC000012376047

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Available files

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