Vitas-M small molecule compound
1-[(1R,2S,3R)-2-(4-bromophenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]-2,2-dimethylpropan-1-one
Catalog ID
STK549813
SMILES [O-][N+](=O)[C@@H]1[C@@H](c2ccc(cc2)Br)[C@@H](N2C1c1ccccc1C=N2)C(=O)C(C)(C)C
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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 C22H22BrN3O3 MW 456.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN3O3/c1-22(2,3)21(27)20-17(13-8-10-15(23)11-9-13)19(26(28)29)18-16-7-5-4-6-14(16)12-24-25(18)20/h4-12,17-20H,1-3H3/t17-,18?,19-,20-/m1/s1InChIKey
RKCPGGHAUZDUES-FAUFDBKOSA-NSynonyms
1212435-14-7(O)(N+)(=O)(C@@H)1(C@@H)(c2ccc(cc2)Br)(C@@H)(N2C1c1ccccc1C=N2)C(=O)C(C)(C)C
1((1R2S3R)2(4bromophenyl)1nitro12310btetrahydropyrrolo(21a)phthalazin3yl)22dimethylpropan1one
1212435147
CC(C)(C)C(=O)C1C(C(C2N1N=CC3=CC=CC=C23)(N+)(=O)(O))C4=CC=C(C=C4)Br
InChI=1SC22H22BrN3O3c122(23)21(27)2017(1381015(23)11913)19(26(28)29)1816754614(16)122425(18)20h4121720H13H3t1718?1920m1s1
MFCD18242494
ZINC000013689749
ZINC000013689751
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