Vitas-M small molecule compound

2-chloro-4-(4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenol

Catalog ID
STK773288
SMILES COc1cc(cc(c1O)Cl)C1Nc2ccccc2C(O1)(c1ccccc1)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 C27H22ClNO3 MW 443.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClNO3/c1-31-24-17-18(16-22(28)25(24)30)26-29-23-15-9-8-14-21(23)27(32-26,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-17,26,29-30H,1H3
InChIKey
CLVBXYOTCBCESM-UHFFFAOYSA-N
Synonyms

2CHLORO4(44DIPHENYL12DIHYDRO31BENZOXAZIN2YL)6METHOXYPHENOL
2chloro4(44diphenyl14dihydro2H31benzoxazin2yl)6methoxyphenol
COC1=C(C(=CC(=C1)C2NC3=CC=CC=C3C(O2)(C4=CC=CC=C4)C5=CC=CC=C5)Cl)O
InChI=1SC27H22ClNO3c131241718(1622(28)25(24)30)26292315981421(23)27(322619104251119)20126371320h217262930H1H3
MFCD03821560
ZINC000008846834
ZINC000008846835

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.