Vitas-M small molecule compound
5-(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)-N,N'-bis(2-methoxyphenyl)benzene-1,3-dicarboxamide (non-preferred name)
Catalog ID
STK268949
SMILES COc1ccccc1NC(=O)c1cc(cc(c1)C(=O)Nc1ccccc1OC)N1C(=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 C40H31N3O6 MW 649.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H31N3O6/c1-48-31-17-9-7-15-29(31)41-37(44)22-19-23(38(45)42-30-16-8-10-18-32(30)49-2)21-24(20-22)43-39(46)35-33-25-11-3-4-12-26(25)34(36(35)40(43)47)28-14-6-5-13-27(28)33/h3-21,33-36H,1-2H3,(H,41,44)(H,42,45)InChIKey
LYSNMAKUFADLNQ-UHFFFAOYSA-NSynonyms
5(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)NNbis(2methoxyphenyl)benzene13dicarboxamide(nonpreferredname)
COC1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57)C(=O)NC8=CC=CC=C8OC
InChI=1SC40H31N3O6c1483117971529(31)4137(44)221923(38(45)4230168101832(30)492)2124(2022)4339(46)35332511341226(25)34(36(35)40(43)47)2814651327(28)33h3213336H12H3(H4144)(H4245)
MFCD01623393
ZINC000004180019
ZINC000004180023
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