Vitas-M small molecule compound
N'-[(E)-(16,18-dioxo-17-phenyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-1-yl)methylidene]furan-2-carbohydrazide (non-preferred name)
Catalog ID
STK281934
SMILES O=C1N(c2ccccc2)C(=O)C2C1C1(/C=N/NC(=O)c3ccco3)c3c(C2c2c1cccc2)cccc3
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C30H21N3O4 MW 487.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H21N3O4/c34-27(23-15-8-16-37-23)32-31-17-30-21-13-6-4-11-19(21)24(20-12-5-7-14-22(20)30)25-26(30)29(36)33(28(25)35)18-9-2-1-3-10-18/h1-17,24-26H,(H,32,34)/b31-17+InChIKey
OAZZHSRRRLXXAV-KBVAKVRCSA-NSynonyms
C1=CC=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)C=NNC(=O)C7=CC=CO7
InChI=1SC30H21N3O4c3427(23158163723)323117302113641119(21)24(2012571422(20)30)2526(30)29(36)33(28(25)35)1892131018h1172426H(H3234)b3117+
MFCD04571188
N((E)(1618dioxo17phenyl17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen1yl)methylidene)furan2carbohydrazide(nonpreferredname)
O=C1N(c2ccccc2)C(=O)C2C1C1(C=NNC(=O)c3ccco3)c3c(C2c2c1cccc2)cccc3
ZINC000009195643
ZINC000022745327
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