Vitas-M small molecule compound

decyl 2-(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
STK268801
SMILES CCCCCCCCCCOC(=O)c1ccccc1N1C(=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 C35H37NO4 MW 535.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H37NO4/c1-2-3-4-5-6-7-8-15-22-40-35(39)27-20-13-14-21-28(27)36-33(37)31-29-23-16-9-10-17-24(23)30(32(31)34(36)38)26-19-12-11-18-25(26)29/h9-14,16-21,29-32H,2-8,15,22H2,1H3
InChIKey
LOSZCLFKQNPRHU-UHFFFAOYSA-N
Synonyms

CCCCCCCCCCOC(=O)C1=CC=CC=C1N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
decyl2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
InChI=1SC35H37NO4c1234567815224035(39)272013142128(27)3633(37)312923169101724(23)30(32(31)34(36)38)261912111825(26)29h91416212932H281522H21H3
MFCD01362231
ZINC000002068410
ZINC000002068429

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Available files

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