Vitas-M small molecule compound
17-{[(E)-(5-chloro-2-ethoxyphenyl)methylidene]amino}-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
Catalog ID
STL369521
SMILES CCOc1ccc(cc1/C=N/N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)Cl
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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 C27H21ClN2O3 MW 456.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN2O3/c1-2-33-21-12-11-16(28)13-15(21)14-29-30-26(31)24-22-17-7-3-4-8-18(17)23(25(24)27(30)32)20-10-6-5-9-19(20)22/h3-14,22-25H,2H2,1H3/b29-14+InChIKey
FNKLEQGVHSXIHH-IPPBACCNSA-NSynonyms
17(((E)(5chloro2ethoxyphenyl)methylidene)amino)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CCOC1=C(C=C(C=C1)Cl)C=NN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
CCOc1ccc(cc1C=NN1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)Cl
InChI=1SC27H21ClN2O3c123321121116(28)1315(21)14293026(31)242217734818(17)23(25(24)27(30)32)201065919(20)22h3142225H2H21H3b2914+
MFCD03714632
ZINC000022364006
ZINC000022364014
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