Vitas-M small molecule compound
(3E)-3-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-1-ethyl-5-nitro-1,3-dihydro-2H-indol-2-one
Catalog ID
STK521967
SMILES CCN1C(=O)/C(=C\2/C(=O)Nc3c2cc(Br)cc3)/c2c1ccc(c2)[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 C18H12BrN3O4 MW 414.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12BrN3O4/c1-2-21-14-6-4-10(22(25)26)8-12(14)16(18(21)24)15-11-7-9(19)3-5-13(11)20-17(15)23/h3-8H,2H2,1H3,(H,20,23)/b16-15+InChIKey
LLTDMSHEJHSQDV-FOCLMDBBSA-NSynonyms
(3E)3(5bromo2oxo12dihydro3Hindol3ylidene)1ethyl5nitro13dihydro2Hindol2one
(3E)3(5BROMO2OXO1HINDOL3YLIDENE)1ETHYL5NITROINDOL2ONE
CCN1C(=O)C(=C2C(=O)Nc3c2cc(Br)cc3)c2c1ccc(c2)(N+)(=O)(O)
CCN1C2=C(C=C(C=C2)(N+)(=O)(O))C(=C3C4=C(C=CC(=C4)Br)NC3=O)C1=O
InChI=1SC18H12BrN3O4c1221146410(22(25)26)812(14)16(18(21)24)151179(19)3513(11)2017(15)23h38H2H21H3(H2023)b1615+
MFCD03999622
ZINC000015016643
ZINC15016643
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