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]-1,3-benzodioxole-5-carbohydrazide (non-preferred name)
Catalog ID
STL387093
SMILES O=C1N(c2ccccc2)C(=O)C2C1C1(/C=N/NC(=O)c3ccc4c(c3)OCO4)c3c(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 C33H23N3O5 MW 541.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H23N3O5/c37-30(19-14-15-25-26(16-19)41-18-40-25)35-34-17-33-23-12-6-4-10-21(23)27(22-11-5-7-13-24(22)33)28-29(33)32(39)36(31(28)38)20-8-2-1-3-9-20/h1-17,27-29H,18H2,(H,35,37)/b34-17+InChIKey
RDNNLCSFJAJZGF-KVAAJVFYSA-NSynonyms
C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC34C5C(C(C6=CC=CC=C63)C7=CC=CC=C47)C(=O)N(C5=O)C8=CC=CC=C8
InChI=1SC33H23N3O5c3730(1914152526(1619)41184025)353417332312641021(23)27(2211571324(22)33)2829(33)32(39)36(31(28)38)208213920h1172729H18H2(H3537)b3417+
MFCD02060230
N((E)(1618dioxo17phenyl17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen1yl)methylidene)13benzodioxole5carbohydrazide(nonpreferredname)
O=C1N(c2ccccc2)C(=O)C2C1C1(C=NNC(=O)c3ccc4c(c3)OCO4)c3c(C2c2c1cccc2)cccc3
ZINC000100935246
ZINC000100935252
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