Vitas-M small molecule compound

6-bromo-3',5'-di-tert-butyl-2-phenyl-4H,4'H-spiro[1,4-benzoxazine-3,1'-cyclohexa[2,5]dien]-4'-one

Catalog ID
STK759914
SMILES Brc1ccc2c(c1)NC1(C(O2)c2ccccc2)C=C(C(=O)C(=C1)C(C)(C)C)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 C27H30BrNO2 MW 480.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30BrNO2/c1-25(2,3)19-15-27(16-20(23(19)30)26(4,5)6)24(17-10-8-7-9-11-17)31-22-13-12-18(28)14-21(22)29-27/h7-16,24,29H,1-6H3
InChIKey
GRHZKJFWKKKIPG-UHFFFAOYSA-N
Synonyms

6BROMO26DITERTBUTYL2PHENYLSPIRO(24DIHYDRO14BENZOXAZINE34CYCLOHEXA25DIENE)1ONE
6bromo35ditertbutyl2phenyl4H4Hspiro(14benzoxazine31cyclohexa(25)dien)4one
CC(C)(C)C1=CC2(C=C(C1=O)C(C)(C)C)C(OC3=C(N2)C=C(C=C3)Br)C4=CC=CC=C4
InChI=1SC27H30BrNO2c125(23)191527(1620(23(19)30)26(45)6)24(17108791117)3122131218(28)1421(22)2927h7162429H16H3
MFCD01571491
ZINC000002926474
ZINC000002926475

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Available files

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