Vitas-M small molecule compound
2-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1H-indene-1,3(2H)-dione
Catalog ID
STK160351
SMILES COc1cc(cc(c1OCc1ccc(cc1)[N+](=O)[O-])Cl)/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 C24H16ClNO6 MW 449.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16ClNO6/c1-31-21-12-15(10-19-22(27)17-4-2-3-5-18(17)23(19)28)11-20(25)24(21)32-13-14-6-8-16(9-7-14)26(29)30/h2-12H,13H2,1H3InChIKey
ZHAGFXIEEZOMEV-UHFFFAOYSA-NSynonyms
2((3CHLORO5METHOXY4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)INDENE13DIONE
2(3CHLORO5METHOXY4((4NITROBENZYL)OXY)BENZYLIDENE)1HINDENE13(2H)DIONE
COC1=C(C(=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)Cl)OCC4=CC=C(C=C4)(N+)(=O)(O)
COc1cc(cc(c1OCc1ccc(cc1)(N+)(=O)(O))Cl)C=C1C(=O)c2c(C1=O)cccc2
InChI=1SC24H16ClNO6c131211215(101922(27)17423518(17)23(19)28)1120(25)24(21)3213146816(9714)26(29)30h212H13H21H3
MFCD03141747
ZINC000001157717
ZINC01157717
ZINC1157717
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