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 acetate (non-preferred name)
Catalog ID
STL387141
SMILES CC(=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 C26H19NO4 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19NO4/c1-14(28)31-16-8-6-7-15(13-16)27-25(29)23-21-17-9-2-3-10-18(17)22(24(23)26(27)30)20-12-5-4-11-19(20)21/h2-13,21-24H,1H3InChIKey
ZRLXCILJACQODS-UHFFFAOYSA-NSynonyms
3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)phenylacetate(nonpreferredname)
CC(=O)OC1=CC=CC(=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC26H19NO4c114(28)311686715(1316)2725(29)2321179231018(17)22(24(23)26(27)30)2012541119(20)21h2132124H1H3
MFCD02294257
ZINC000001213366
ZINC000018323824
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