Vitas-M small molecule compound
4-methoxyphenyl (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
STK286493
SMILES COc1ccc(cc1)OC(=O)CN1C(=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 C27H21NO5 MW 439.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO5/c1-32-15-10-12-16(13-11-15)33-21(29)14-28-26(30)24-22-17-6-2-3-7-18(17)23(25(24)27(28)31)20-9-5-4-8-19(20)22/h2-13,22-25H,14H2,1H3InChIKey
KYJRBWLBVIXTLG-UHFFFAOYSA-NSynonyms
4methoxyphenyl(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)acetate(nonpreferredname)
COC1=CC=C(C=C1)OC(=O)CN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC27H21NO5c13215101216(131115)3321(29)142826(30)242217623718(17)23(25(24)27(28)31)20954819(20)22h2132225H14H21H3
MFCD03577065
ZINC000001128549
ZINC000017861772
Check stock
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Check stock on Vitas-MAvailable files
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