Vitas-M small molecule compound
17-(4-bromo-2-nitrophenyl)-1-ethyl-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
STK263893
SMILES CCC12C3C(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 C26H19BrN2O4 MW 503.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19BrN2O4/c1-2-26-17-9-5-3-7-15(17)21(16-8-4-6-10-18(16)26)22-23(26)25(31)28(24(22)30)19-12-11-14(27)13-20(19)29(32)33/h3-13,21-23H,2H2,1H3InChIKey
YWHUKCYXMFNFIM-UHFFFAOYSA-NSynonyms
17(4bromo2nitrophenyl)1ethyl17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CCC12C3C(C(=O)N(C3=O)c3ccc(cc3(N+)(=O)(O))Br)C(c3c1cccc3)c1c2cccc1
CCC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=C(C=C(C=C6)Br)(N+)(=O)(O)
InChI=1SC26H19BrN2O4c122617953715(17)21(168461018(16)26)2223(26)25(31)28(24(22)30)19121114(27)1320(19)29(32)33h3132123H2H21H3
MFCD01802346
ZINC000009489270
ZINC000009489273
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