Vitas-M small molecule compound
4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl 3-nitrobenzoate (non-preferred name)
Catalog ID
STK268851
SMILES O=C(c1cccc(c1)[N+](=O)[O-])Oc1ccc(cc1)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 C31H20N2O6 MW 516.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H20N2O6/c34-29-27-25-21-8-1-2-9-22(21)26(24-11-4-3-10-23(24)25)28(27)30(35)32(29)18-12-14-20(15-13-18)39-31(36)17-6-5-7-19(16-17)33(37)38/h1-16,25-28HInChIKey
QXCDUSSKTXRFRJ-UHFFFAOYSA-NSynonyms
4(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)phenyl3nitrobenzoate(nonpreferredname)C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=C(C=C6)OC(=O)C7=CC(=CC=C7)(N+)(=O)(O)
O=C(c1cccc(c1)(N+)(=O)(O))Oc1ccc(cc1)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3
Registry IDs
MFCD01363049ZINC000000990663
ZINC000017976095
Check stock
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