Vitas-M small molecule compound
3',5'-di-tert-butyl-2-phenyl-4H,4'H-spiro[1,4-benzoxazine-3,1'-cyclohexa[2,5]dien]-4'-one
Catalog ID
STK759598
SMILES O=C1C(=CC2(C=C1C(C)(C)C)Nc1ccccc1OC2c1ccccc1)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 C27H31NO2 MW 401.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO2/c1-25(2,3)19-16-27(17-20(23(19)29)26(4,5)6)24(18-12-8-7-9-13-18)30-22-15-11-10-14-21(22)28-27/h7-17,24,28H,1-6H3InChIKey
ZKSOYTWUUNYBOB-UHFFFAOYSA-NSynonyms
26DITERTBUTYL2PHENYLSPIRO(24DIHYDRO14BENZOXAZINE34CYCLOHEXA25DIENE)1ONE
35ditertbutyl2phenyl4H4Hspiro(14benzoxazine31cyclohexa(25)dien)4one
CC(C)(C)C1=CC2(C=C(C1=O)C(C)(C)C)C(OC3=CC=CC=C3N2)C4=CC=CC=C4
InChI=1SC27H31NO2c125(23)191627(1720(23(19)29)26(45)6)24(18128791318)30221511101421(22)2827h7172428H16H3
MFCD01461887
ZINC000004117320
ZINC000004117322
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