Vitas-M small molecule compound
[(4aR,5S,6R,7S)-6-(4-bromophenyl)-5-nitro-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazin-7-yl](4-methoxyphenyl)methanone
Catalog ID
STK552357
SMILES COc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@H]([C@@H]1c1ccc(cc1)Br)[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 C21H18BrN3O4 MW 456.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3O4/c1-29-16-10-6-14(7-11-16)21(26)20-18(13-4-8-15(22)9-5-13)19(25(27)28)17-3-2-12-23-24(17)20/h2-12,17-20H,1H3/t17-,18+,19-,20+/m1/s1InChIKey
PKBKFBIRMARUGK-WCIQWLHISA-NSynonyms
1214624-25-5((4aR5S6R7S)6(4bromophenyl)5nitro4a567tetrahydropyrrolo(12b)pyridazin7yl)(4methoxyphenyl)methanone
1214624255
COC1=CC=C(C=C1)C(=O)C2C(C(C3N2N=CC=C3)(N+)(=O)(O))C4=CC=C(C=C4)Br
COc1ccc(cc1)C(=O)(C@H)1N2N=CC=C(C@@H)2(C@H)((C@@H)1c1ccc(cc1)Br)(N+)(=O)(O)
InChI=1SC21H18BrN3O4c1291610614(71116)21(26)2018(134815(22)9513)19(25(27)28)1732122324(17)20h2121720H1H3t1718+1920+m1s1
MFCD18242645
ZINC000009043378
ZINC09043378
ZINC9043378
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