Vitas-M small molecule compound

hexyl 6-(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)hexanoate (non-preferred name)

Catalog ID
STK247100
SMILES CCCCCCOC(=O)CCCCCN1C(=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 C30H35NO4 MW 473.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO4/c1-2-3-4-12-19-35-24(32)17-6-5-11-18-31-29(33)27-25-20-13-7-8-14-21(20)26(28(27)30(31)34)23-16-10-9-15-22(23)25/h7-10,13-16,25-28H,2-6,11-12,17-19H2,1H3
InChIKey
GGLPRZAWNPLQJN-UHFFFAOYSA-N
Synonyms

CCCCCCOC(=O)CCCCCN1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
hexyl6(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)hexanoate(nonpreferredname)
InChI=1SC30H35NO4c123412193524(32)176511183129(33)27252013781421(20)26(28(27)30(31)34)23161091522(23)25h71013162528H2611121719H21H3
MFCD01062784
ZINC000004133689
ZINC000017861792

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Available files

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