Vitas-M small molecule compound
octyl 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
STK268764
SMILES CCCCCCCCOC(=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 C33H33NO4 MW 507.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33NO4/c1-2-3-4-5-6-13-20-38-33(37)25-18-11-12-19-26(25)34-31(35)29-27-21-14-7-8-15-22(21)28(30(29)32(34)36)24-17-10-9-16-23(24)27/h7-12,14-19,27-30H,2-6,13,20H2,1H3InChIKey
WBDGDAHVJCETSK-UHFFFAOYSA-NSynonyms
CCCCCCCCOC(=O)C1=CC=CC=C1N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC33H33NO4c12345613203833(37)251811121926(25)3431(35)29272114781522(21)28(30(29)32(34)36)24171091623(24)27h71214192730H261320H21H3
MFCD01362141
octyl2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
ZINC000002062436
ZINC000002062438
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