Vitas-M small molecule compound
3-(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)phenyl hexanoate (non-preferred name)
Catalog ID
STK268581
SMILES CCCCCC(=O)Oc1cccc(c1)N1C(=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 C30H27NO4 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27NO4/c1-2-3-4-16-24(32)35-19-11-9-10-18(17-19)31-29(33)27-25-20-12-5-6-13-21(20)26(28(27)30(31)34)23-15-8-7-14-22(23)25/h5-15,17,25-28H,2-4,16H2,1H3InChIKey
HHCDEAUJEZJSKH-UHFFFAOYSA-NSynonyms
3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)phenylhexanoate(nonpreferredname)
CCCCCC(=O)OC1=CC=CC(=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC30H27NO4c12341624(32)35191191018(1719)3129(33)27252012561321(20)26(28(27)30(31)34)2315871422(23)25h515172528H2416H21H3
MFCD01174584
ZINC000002068201
ZINC000018246994
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