Vitas-M small molecule compound
(4-methoxyphenyl)[(1R,2S,3R)-2-(4-methoxyphenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]methanone
Catalog ID
STK549958
SMILES COc1ccc(cc1)C(=O)[C@H]1[C@H](c2ccc(cc2)OC)[C@H](C2N1N=Cc1c2cccc1)[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 C26H23N3O5 MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O5/c1-33-19-11-7-16(8-12-19)22-24(29(31)32)23-21-6-4-3-5-18(21)15-27-28(23)25(22)26(30)17-9-13-20(34-2)14-10-17/h3-15,22-25H,1-2H3/t22-,23?,24-,25-/m1/s1InChIKey
FHSJOLPRYSEWQK-MGHPKPITSA-NSynonyms
958975-31-0(4methoxyphenyl)((1R2S3R)2(4methoxyphenyl)1nitro12310btetrahydropyrrolo(21a)phthalazin3yl)methanone
958975310
COC1=CC=C(C=C1)C2C(C3C4=CC=CC=C4C=NN3C2C(=O)C5=CC=C(C=C5)OC)(N+)(=O)(O)
COc1ccc(cc1)C(=O)(C@H)1(C@H)(c2ccc(cc2)OC)(C@H)(C2N1N=Cc1c2cccc1)(N+)(=O)(O)
InChI=1SC26H23N3O5c1331911716(81219)2224(29(31)32)2321643518(21)152728(23)25(22)26(30)1791320(342)141017h3152225H12H3t2223?2425m1s1
MFCD18242499
ZINC000008691793
ZINC000008691794
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