Vitas-M small molecule compound
3-(1-methyl-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
STL387137
SMILES CC(=O)Oc1cccc(c1)N1C(=O)C2C(C1=O)C1(C)c3c(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 C27H21NO4 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO4/c1-15(29)32-17-9-7-8-16(14-17)28-25(30)23-22-18-10-3-5-12-20(18)27(2,24(23)26(28)31)21-13-6-4-11-19(21)22/h3-14,22-24H,1-2H3InChIKey
SQEULOSKSMKGEX-UHFFFAOYSA-NSynonyms
3(1methyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)phenylacetate(nonpreferredname)
CC(=O)OC1=CC=CC(=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)C
InChI=1SC27H21NO4c115(29)321797816(1417)2825(30)23221810351220(18)27(224(23)26(28)31)2113641119(21)22h3142224H12H3
MFCD02217305
ZINC000001205784
ZINC000001205788
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