Vitas-M small molecule compound

octyl (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)acetate (non-preferred name)

Catalog ID
STK376597
SMILES CCCCCCCCOC(=O)CN1C(=O)C2C(C1=O)C1c3c(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 C28H31NO4 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4/c1-2-3-4-5-6-11-16-33-22(30)17-29-27(31)25-23-18-12-7-8-13-19(18)24(26(25)28(29)32)21-15-10-9-14-20(21)23/h7-10,12-15,23-26H,2-6,11,16-17H2,1H3
InChIKey
BPUZJMFUQNRCTP-UHFFFAOYSA-N
Synonyms

CCCCCCCCOC(=O)CN1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI=1SC28H31NO4c12345611163322(30)172927(31)25231812781319(18)24(26(25)28(29)32)21151091420(21)23h71012152326H26111617H21H3
MFCD01174838
octyl(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)acetate(nonpreferredname)
ZINC000098050459
ZINC000098050461

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Available files

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