Vitas-M small molecule compound
[(1S,2R,3S,3aR)-2-(4-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl](3-nitrophenyl)methanone
Catalog ID
STK554460
SMILES COc1ccc(cc1)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@H]1[N+](=O)[O-])C=Cc1c2cccc1
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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 C26H21N3O6 MW 471.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O6/c1-35-20-12-9-17(10-13-20)23-24(29(33)34)22-14-11-16-5-2-3-8-21(16)27(22)25(23)26(30)18-6-4-7-19(15-18)28(31)32/h2-15,22-25H,1H3/t22-,23+,24-,25+/m1/s1InChIKey
SEURAFXKYPYKPI-RCTAOEEJSA-NSynonyms
1014104-06-3((1S2R3S3aR)2(4methoxyphenyl)3nitro1233atetrahydropyrrolo(12a)quinolin1yl)(3nitrophenyl)methanone
1014104063
COC1=CC=C(C=C1)C2C(C3C=CC4=CC=CC=C4N3C2C(=O)C5=CC(=CC=C5)(N+)(=O)(O))(N+)(=O)(O)
COc1ccc(cc1)(C@@H)1(C@@H)(C(=O)c2cccc(c2)(N+)(=O)(O))N2(C@@H)((C@H)1(N+)(=O)(O))C=Cc1c2cccc1
InChI=1SC26H21N3O6c1352012917(101320)2324(29(33)34)22141116523821(16)27(22)25(23)26(30)1864719(1518)28(31)32h2152225H1H3t2223+2425+m1s1
MFCD18242803
ZINC000009462605
ZINC09462605
ZINC9462605
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