Vitas-M small molecule compound
ethyl 2-chloro-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)benzoate (non-preferred name)
Catalog ID
STL384072
SMILES CCOC(=O)c1cc(ccc1Cl)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 C27H20ClNO4 MW 457.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClNO4/c1-2-33-27(32)19-13-14(11-12-20(19)28)29-25(30)23-21-15-7-3-4-8-16(15)22(24(23)26(29)31)18-10-6-5-9-17(18)21/h3-13,21-24H,2H2,1H3InChIKey
QPRWTFQBSDSCCA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C=CC(=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46)Cl
ethyl2chloro5(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
InChI=1SC27H20ClNO4c123327(32)191314(111220(19)28)2925(30)232115734816(15)22(24(23)26(29)31)181065917(18)21h3132124H2H21H3
MFCD03715148
ZINC000001137182
ZINC000018255803
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