Vitas-M small molecule compound
{(1R,2S,3R)-2-[4-(dimethylamino)phenyl]-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl}(4-methoxyphenyl)methanone
Catalog ID
STK552536
SMILES COc1ccc(cc1)C(=O)[C@H]1[C@H](c2ccc(cc2)N(C)C)[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 C27H26N4O4 MW 470.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O4/c1-29(2)20-12-8-17(9-13-20)23-25(31(33)34)24-22-7-5-4-6-19(22)16-28-30(24)26(23)27(32)18-10-14-21(35-3)15-11-18/h4-16,23-26H,1-3H3/t23-,24?,25-,26-/m1/s1InChIKey
YKPVISPEXRXLGY-KLWMDXOYSA-NSynonyms
1214625-45-2((1R2S3R)2(4(dimethylamino)phenyl)1nitro12310btetrahydropyrrolo(21a)phthalazin3yl)(4methoxyphenyl)methanone
1214625452
CN(C)C1=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)N(C)C)(C@H)(C2N1N=Cc1c2cccc1)(N+)(=O)(O)
InChI=1SC27H26N4O4c129(2)2012817(91320)2325(31(33)34)2422754619(22)162830(24)26(23)27(32)18101421(353)151118h4162326H13H3t2324?2526m1s1
MFCD18242657
ZINC000009076029
ZINC000009076030
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