Vitas-M small molecule compound
4-{(Z)-[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-ethoxyphenyl 4-nitrobenzoate
Catalog ID
STL426870
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-])/C=C/1\N=C(OC1=O)c1ccc(cc1)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 C25H17BrN2O7 MW 537.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17BrN2O7/c1-2-33-22-14-15(13-20-25(30)35-23(27-20)16-4-8-18(26)9-5-16)3-12-21(22)34-24(29)17-6-10-19(11-7-17)28(31)32/h3-14H,2H2,1H3/b20-13-InChIKey
ACTPTKGANFSQKI-MOSHPQCFSA-NSynonyms
(4((Z)(2(4bromophenyl)5oxo13oxazol4ylidene)methyl)2ethoxyphenyl)4nitrobenzoate
4((2(4BROMOPHENYL)5OXO(13OXAZOLIN4YLIDENE))METHYL)2ETHOXYPHENYL4NITROBENZOATE
4((Z)(2(4bromophenyl)5oxo13oxazol4(5H)ylidene)methyl)2ethoxyphenyl4nitrobenzoate
CCOC1=C(C=CC(=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)Br)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
CCOc1cc(ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O))C=C1N=C(OC1=O)c1ccc(cc1)Br
InChI=1SC25H17BrN2O7c1233221415(132025(30)3523(2720)164818(26)9516)31221(22)3424(29)1761019(11717)28(31)32h314H2H21H3b2013
MFCD03548071
ZINC000100951582
ZINC100951582
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