Vitas-M small molecule compound
benzyl (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)acetate (non-preferred name)
Catalog ID
STK247272
SMILES O=C(CN1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)OCc1ccccc1
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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/c29-21(32-15-16-8-2-1-3-9-16)14-28-26(30)24-22-17-10-4-5-11-18(17)23(25(24)27(28)31)20-13-7-6-12-19(20)22/h1-13,22-25H,14-15H2InChIKey
HRJCMADMXCKONH-UHFFFAOYSA-NSynonyms
benzyl(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)acetate(nonpreferredname)
C1=CC=C(C=C1)COC(=O)CN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC27H21NO4c2921(3215168213916)142826(30)24221710451118(17)23(25(24)27(28)31)2013761219(20)22h1132225H1415H2
MFCD01174525
ZINC000000837161
ZINC000013614810
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