Vitas-M small molecule compound
17-(4-bromo-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde (non-preferred name)
Catalog ID
STK264430
SMILES O=CC12C3C(C(=O)N(C3=O)c3ccc(cc3[N+](=O)[O-])Br)C(c3c1cccc3)c1c2cccc1
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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 C25H15BrN2O5 MW 503.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H15BrN2O5/c26-13-9-10-18(19(11-13)28(32)33)27-23(30)21-20-14-5-1-3-7-16(14)25(12-29,22(21)24(27)31)17-8-4-2-6-15(17)20/h1-12,20-22HInChIKey
NDQQSCCFGCDACC-UHFFFAOYSA-NSynonyms
332018-10-717(4bromo2nitrophenyl)1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1carbaldehyde(nonpreferredname)
332018107
C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)C=O)C(=O)N(C4=O)C6=C(C=C(C=C6)Br)(N+)(=O)(O)
InChI=1SC25H15BrN2O5c261391018(19(1113)28(32)33)2723(30)212014513716(14)25(122922(21)24(27)31)17842615(17)20h1122022H
MFCD01171054
O=CC12C3C(C(=O)N(C3=O)c3ccc(cc3(N+)(=O)(O))Br)C(c3c1cccc3)c1c2cccc1
ZINC000008425997
ZINC000008426002
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