Vitas-M small molecule compound
3',5'-di-tert-butyl-7-nitro-2-phenyl-4H,4'H-spiro[1,4-benzoxazine-3,1'-cyclohexa[2,5]dien]-4'-one
Catalog ID
STK760697
SMILES O=C1C(=CC2(C=C1C(C)(C)C)Nc1ccc(cc1OC2c1ccccc1)[N+](=O)[O-])C(C)(C)C
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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 C27H30N2O4 MW 446.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O4/c1-25(2,3)19-15-27(16-20(23(19)30)26(4,5)6)24(17-10-8-7-9-11-17)33-22-14-18(29(31)32)12-13-21(22)28-27/h7-16,24,28H,1-6H3InChIKey
WRCJNJHZYXADIT-UHFFFAOYSA-NSynonyms
26DITERTBUTYL7NITRO2PHENYLSPIRO(24DIHYDRO14BENZOXAZINE34CYCLOHEXA25DIENE)1ONE
35ditertbutyl7nitro2phenyl4H4Hspiro(14benzoxazine31cyclohexa(25)dien)4one
CC(C)(C)C1=CC2(C=C(C1=O)C(C)(C)C)C(OC3=C(N2)C=CC(=C3)(N+)(=O)(O))C4=CC=CC=C4
InChI=1SC27H30N2O4c125(23)191527(1620(23(19)30)26(45)6)24(17108791117)33221418(29(31)32)121321(22)2827h7162428H16H3
MFCD01819400
O=C1C(=CC2(C=C1C(C)(C)C)Nc1ccc(cc1OC2c1ccccc1)(N+)(=O)(O))C(C)(C)C
ZINC000008854651
ZINC000008855063
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