Vitas-M small molecule compound
(2Z)-2-(2-chlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-nitrobenzoate
Catalog ID
STK918289
SMILES O=C1/C(=C/c2ccccc2Cl)/Oc2c1ccc(c2)OC(=O)c1ccc(cc1)[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 C22H12ClNO6 MW 421.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H12ClNO6/c23-18-4-2-1-3-14(18)11-20-21(25)17-10-9-16(12-19(17)30-20)29-22(26)13-5-7-15(8-6-13)24(27)28/h1-12H/b20-11-InChIKey
BSPSCGHHGJGYCB-JAIQZWGSSA-NSynonyms
714919-14-9((2Z)2((2CHLOROPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)4NITROBENZOATE
(2Z)2(2chlorobenzylidene)3oxo23dihydro1benzofuran6yl4nitrobenzoate
(Z)2(2chlorobenzylidene)3oxo23dihydrobenzofuran6yl4nitrobenzoate
2((2CHLOROPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL4NITROBENZOATE
714919149
C1=CC=C(C(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O))Cl
InChI=1SC22H12ClNO6c2318421314(18)112021(25)1710916(1219(17)3020)2922(26)135715(8613)24(27)28h112Hb2011
MFCD04182162
O=C1C(=Cc2ccccc2Cl)Oc2c1ccc(c2)OC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000001884745
ZINC01884745
ZINC1884745
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