Vitas-M small molecule compound

(4-nitrophenyl)(2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanone

Catalog ID
STL191903
SMILES O=C(C1Oc2ccccc2C2N1N=C(C2)c1ccccc1)c1ccc(cc1)[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 C23H17N3O4 MW 399.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O4/c27-22(16-10-12-17(13-11-16)26(28)29)23-25-20(18-8-4-5-9-21(18)30-23)14-19(24-25)15-6-2-1-3-7-15/h1-13,20,23H,14H2
InChIKey
JWXUQRHGKNCBNX-UHFFFAOYSA-N
Synonyms

(4nitrophenyl)(2phenyl110bdihydropyrazolo(15c)(13)benzoxazin5yl)methanone
(4NITROPHENYL)(2PHENYL510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)METHANONE
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC23H17N3O4c2722(16101217(131116)26(28)29)232520(18845921(18)3023)1419(2425)156213715h1132023H14H2
MFCD02666753
O=C(C1Oc2ccccc2C2N1N=C(C2)c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
ZINC000005736181
ZINC000025558339

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Available files

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