Vitas-M small molecule compound
2-oxo-2-{4-[(phenylcarbonyl)oxy]phenyl}ethyl 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)benzoate (non-preferred name)
Catalog ID
STK286800
SMILES O=C(c1cccc(c1)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)OCC(=O)c1ccc(cc1)OC(=O)c1ccccc1
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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 C40H27NO7 MW 633.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H27NO7/c42-32(23-17-19-27(20-18-23)48-40(46)24-9-2-1-3-10-24)22-47-39(45)25-11-8-12-26(21-25)41-37(43)35-33-28-13-4-5-14-29(28)34(36(35)38(41)44)31-16-7-6-15-30(31)33/h1-21,33-36H,22H2InChIKey
QRHVVAOXSMMGTP-UHFFFAOYSA-NSynonyms
2oxo2(4((phenylcarbonyl)oxy)phenyl)ethyl3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)N4C(=O)C5C(C4=O)C6C7=CC=CC=C7C5C8=CC=CC=C68
InChI=1SC40H27NO7c4232(23171927(201823)4840(46)2492131024)224739(45)251181226(2125)4137(43)35332813451429(28)34(36(35)38(41)44)3116761530(31)33h1213336H22H2
MFCD03900828
ZINC000097949034
ZINC000097949036
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