Vitas-M small molecule compound
[(1R,2S,3R)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl](4-methoxyphenyl)methanone
Catalog ID
STK552041
SMILES COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@@H]([C@H]1c1ccc(cc1)Br)[N+](=O)[O-])cccc3
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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 C25H20BrN3O4 MW 506.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrN3O4/c1-33-19-12-8-16(9-13-19)25(30)24-21(15-6-10-18(26)11-7-15)23(29(31)32)22-20-5-3-2-4-17(20)14-27-28(22)24/h2-14,21-24H,1H3/t21-,22?,23-,24-/m1/s1InChIKey
QKOKFEDFPJKHSQ-ATDZWHFBSA-NSynonyms
1014082-04-2((1R2S3R)2(4bromophenyl)1nitro12310btetrahydropyrrolo(21a)phthalazin3yl)(4methoxyphenyl)methanone
1014082042
COC1=CC=C(C=C1)C(=O)C2C(C(C3N2N=CC4=CC=CC=C34)(N+)(=O)(O))C5=CC=C(C=C5)Br
COc1ccc(cc1)C(=O)(C@@H)1N2N=Cc3c(C2(C@@H)((C@H)1c1ccc(cc1)Br)(N+)(=O)(O))cccc3
InChI=1SC25H20BrN3O4c1331912816(91319)25(30)2421(1561018(26)11715)23(29(31)32)2220532417(20)142728(22)24h2142124H1H3t2122?2324m1s1
MFCD18242622
ZINC000009428732
ZINC000009428733
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