Vitas-M small molecule compound
2-(4-methylphenyl)-2-oxoethyl (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
STK376596
SMILES O=C(CN1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)OCC(=O)c1ccc(cc1)C
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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 C29H23NO5 MW 465.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23NO5/c1-16-10-12-17(13-11-16)22(31)15-35-23(32)14-30-28(33)26-24-18-6-2-3-7-19(18)25(27(26)29(30)34)21-9-5-4-8-20(21)24/h2-13,24-27H,14-15H2,1H3InChIKey
MXUOSUMPVMRHGA-UHFFFAOYSA-NSynonyms
2(4methylphenyl)2oxoethyl(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)acetate(nonpreferredname)
CC1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC29H23NO5c116101217(131116)22(31)153523(32)143028(33)262418623719(18)25(27(26)29(30)34)21954820(21)24h2132427H1415H21H3
MFCD01174816
ZINC000000837189
ZINC000013614851
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