Vitas-M small molecule compound
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)phenyl hexanoate (non-preferred name)
Catalog ID
STK387057
SMILES CCCCCC(=O)Oc1ccccc1N1C(=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/c1-2-3-4-17-24(32)35-23-16-10-9-15-22(23)31-29(33)27-25-18-11-5-6-12-19(18)26(28(27)30(31)34)21-14-8-7-13-20(21)25/h5-16,25-28H,2-4,17H2,1H3InChIKey
DESOUAFZCBRFTE-UHFFFAOYSA-NSynonyms
2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)phenylhexanoate(nonpreferredname)
CCCCCC(=O)OC1=CC=CC=C1N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC30H27NO4c12341724(32)3523161091522(23)3129(33)27251811561219(18)26(28(27)30(31)34)2114871320(21)25h5162528H2417H21H3
MFCD01174586
ZINC000004174636
ZINC000017976005
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