Vitas-M small molecule compound
2-{3-bromo-4-[(3-nitrobenzyl)oxy]benzylidene}-1H-indene-1,3(2H)-dione
Catalog ID
STK165613
SMILES Brc1cc(ccc1OCc1cccc(c1)[N+](=O)[O-])/C=C/1\C(=O)c2c(C1=O)cccc2
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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 C23H14BrNO5 MW 464.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14BrNO5/c24-20-12-14(11-19-22(26)17-6-1-2-7-18(17)23(19)27)8-9-21(20)30-13-15-4-3-5-16(10-15)25(28)29/h1-12H,13H2InChIKey
PQIDLGKQARDJKO-UHFFFAOYSA-NSynonyms
2((3BROMO4((3NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)INDENE13DIONE
2(3BROMO4((3NITROBENZYL)OXY)BENZYLIDENE)1HINDENE13(2H)DIONE
Brc1cc(ccc1OCc1cccc(c1)(N+)(=O)(O))C=C1C(=O)c2c(C1=O)cccc2
C1=CC=C2C(=C1)C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC(=CC=C4)(N+)(=O)(O))Br)C2=O
InChI=1SC23H14BrNO5c24201214(111922(26)17612718(17)23(19)27)8921(20)30131543516(1015)25(28)29h112H13H2
MFCD03705451
ZINC000001095447
ZINC01095447
ZINC1095447
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