Vitas-M small molecule compound

6,6'-methanediylbis[2-(4-methoxyphenyl)-4H-3,1-benzoxazin-4-one]

Catalog ID
STK756303
SMILES COc1ccc(cc1)c1nc2ccc(cc2c(=O)o1)Cc1ccc2c(c1)c(=O)oc(n2)c1ccc(cc1)OC

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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 C31H22N2O6 MW 518.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22N2O6/c1-36-22-9-5-20(6-10-22)28-32-26-13-3-18(16-24(26)30(34)38-28)15-19-4-14-27-25(17-19)31(35)39-29(33-27)21-7-11-23(37-2)12-8-21/h3-14,16-17H,15H2,1-2H3
InChIKey
LBPPKWYRQSVPNH-UHFFFAOYSA-N
Synonyms

2(4METHOXYPHENYL)6((2(4METHOXYPHENYL)4OXO31BENZOXAZIN6YL)METHYL)31BENZOXAZIN4ONE
2(4METHOXYPHENYL)6((2(4METHOXYPHENYL)4OXO4H31BENZOXAZIN6YL)METHYL)4H31BENZOXAZIN4ONE
66methanediylbis(2(4methoxyphenyl)4H31benzoxazin4one)
COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)CC4=CC5=C(C=C4)N=C(OC5=O)C6=CC=C(C=C6)OC)C(=O)O2
InChI=1SC31H22N2O6c136229520(61022)28322613318(1624(26)30(34)3828)15194142725(1719)31(35)3929(3327)2171123(372)12821h3141617H15H212H3
MFCD01003901
ZINC000002187731
ZINC02187731
ZINC2187731

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Available files

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