Vitas-M small molecule compound
4-{(E)-[2-(3-bromophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl 3-nitrobenzoate
Catalog ID
STL428803
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])/C=C\1/N=C(OC1=O)c1cccc(c1)Br
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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 C24H15BrN2O7 MW 523.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H15BrN2O7/c1-32-21-11-14(10-19-24(29)34-22(26-19)15-4-2-6-17(25)12-15)8-9-20(21)33-23(28)16-5-3-7-18(13-16)27(30)31/h2-13H,1H3/b19-10+InChIKey
KSSBAIOWFFEAQH-VXLYETTFSA-NSynonyms
(4((E)(2(3BROMOPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)2METHOXYPHENYL)3NITROBENZOATE
4((E)(2(3bromophenyl)5oxo13oxazol4(5H)ylidene)methyl)2methoxyphenyl3nitrobenzoate
COC1=C(C=CC(=C1)C=C2C(=O)OC(=N2)C3=CC(=CC=C3)Br)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
COc1cc(ccc1OC(=O)c1cccc(c1)(N+)(=O)(O))C=C1N=C(OC1=O)c1cccc(c1)Br
InChI=1SC24H15BrN2O7c132211114(101924(29)3422(2619)1542617(25)1215)8920(21)3323(28)1653718(1316)27(30)31h213H1H3b1910+
MFCD06670511
ZINC000103589083
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