Vitas-M small molecule compound

hexyl 4-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name)

Catalog ID
STK268679
SMILES CCCCCCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(Br)c3c(C2c2c1cccc2)cccc3

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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 C31H28BrNO4 MW 558.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28BrNO4/c1-2-3-4-9-18-37-30(36)19-14-16-20(17-15-19)33-28(34)26-25-21-10-5-7-12-23(21)31(32,27(26)29(33)35)24-13-8-6-11-22(24)25/h5-8,10-17,25-27H,2-4,9,18H2,1H3
InChIKey
WSYNTHYWPIHREJ-UHFFFAOYSA-N
Synonyms

CCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br
hexyl4(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
InChI=1SC31H28BrNO4c12349183730(36)19141620(171519)3328(34)26252110571223(21)31(3227(26)29(33)35)2413861122(24)25h5810172527H24918H21H3
MFCD01174890
ZINC000002068310
ZINC000002068313

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Available files

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