Vitas-M small molecule compound
17-benzyl-1-nitro-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
STK001227
SMILES O=C1N(Cc2ccccc2)C(=O)C2C1C1c3ccccc3C2(c2c1cccc2)[N+](=O)[O-]
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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 C25H18N2O4 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O4/c28-23-21-20-16-10-4-6-12-18(16)25(27(30)31,19-13-7-5-11-17(19)20)22(21)24(29)26(23)14-15-8-2-1-3-9-15/h1-13,20-22H,14H2InChIKey
LBHUPSSHOCUKJM-UHFFFAOYSA-NSynonyms
17benzyl1nitro17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
C1=CC=C(C=C1)CN2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)(N+)(=O)(O)
InChI=1SC25H18N2O4c282321201610461218(16)25(27(30)311913751117(19)20)22(21)24(29)26(23)14158213915h1132022H14H2
MFCD01070520
O=C1N(Cc2ccccc2)C(=O)C2C1C1c3ccccc3C2(c2c1cccc2)(N+)(=O)(O)
STK001227
ZINC000001049527
ZINC000001049531
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