Vitas-M small molecule compound
3,3-dimethyl-2-oxobutyl 2-[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)phenyl]quinoline-4-carboxylate (non-preferred name)
Catalog ID
STK286907
SMILES O=C1N(c2cccc(c2)c2nc3ccccc3c(c2)C(=O)OCC(=O)C(C)(C)C)C(=O)C2C1C1c3ccccc3C2c2c1cccc2
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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 C40H32N2O5 MW 620.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H32N2O5/c1-40(2,3)32(43)21-47-39(46)29-20-31(41-30-18-9-8-13-24(29)30)22-11-10-12-23(19-22)42-37(44)35-33-25-14-4-5-15-26(25)34(36(35)38(42)45)28-17-7-6-16-27(28)33/h4-20,33-36H,21H2,1-3H3InChIKey
PHZZBZXAPOLWNW-UHFFFAOYSA-NSynonyms
33dimethyl2oxobutyl2(3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)phenyl)quinoline4carboxylate(nonpreferredname)
CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)N4C(=O)C5C(C4=O)C6C7=CC=CC=C7C5C8=CC=CC=C68
InChI=1SC40H32N2O5c140(23)32(43)214739(46)292031(413018981324(29)30)2211101223(1922)4237(44)35332514451526(25)34(36(35)38(42)45)2817761627(28)33h4203336H21H213H3
MFCD03648900
ZINC000102091068
ZINC000102091077
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