Vitas-M small molecule compound
2-(biphenyl-4-yl)-5-methyl-5-(4-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STK889333
SMILES [O-][N+](=O)c1ccc(cc1)C1(C)Oc2ccccc2C2N1N=C(C2)c1ccc(cc1)c1ccccc1
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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 C29H23N3O3 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O3/c1-29(23-15-17-24(18-16-23)32(33)34)31-27(25-9-5-6-10-28(25)35-29)19-26(30-31)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-18,27H,19H2,1H3InChIKey
KJKUYBGNIYPVRF-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1)C1(C)Oc2ccccc2C2N1N=C(C2)c1ccc(cc1)c1ccccc1
2(biphenyl4yl)5methyl5(4nitrophenyl)110bdihydropyrazolo(15c)(13)benzoxazine
5METHYL5(4NITROPHENYL)2(4PHENYLPHENYL)110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE
CC1(N2C(CC(=N2)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5O1)C6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC29H23N3O3c129(23151724(181623)32(33)34)3127(259561028(25)3529)1926(3031)22131121(121422)207324820h21827H19H21H3
MFCD01627504
ZINC000012559669
ZINC000012559673
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