Vitas-M small molecule compound
17-{[(E)-(2,3-dimethoxyphenyl)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
STL369520
SMILES COc1c(cccc1OC)/C=N/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 C27H22N2O4 MW 438.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O4/c1-32-20-13-7-8-15(25(20)33-2)14-28-29-26(30)23-21-16-9-3-4-10-17(16)22(24(23)27(29)31)19-12-6-5-11-18(19)21/h3-14,21-24H,1-2H3/b28-14+InChIKey
LJESWOWFPQXGMM-CCVNUDIWSA-NSynonyms
17(((E)(23dimethoxyphenyl)methylidene)amino)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
COC1=CC=CC(=C1OC)C=NN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
COc1c(cccc1OC)C=NN1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3
InChI=1SC27H22N2O4c13220137815(25(20)332)14282926(30)2321169341017(16)22(24(23)27(29)31)1912651118(19)21h3142124H12H3b2814+
MFCD03715347
ZINC000008666630
ZINC000018130255
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