Vitas-M small molecule compound
[(1R,2S,3R,3aR)-2-(3,4-dimethoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl](phenyl)methanone
Catalog ID
STK541979
SMILES COc1cc(ccc1OC)[C@@H]1[C@@H]([N+](=O)[O-])[C@@H]2N([C@H]1C(=O)c1ccccc1)c1ccccc1C=C2
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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 C27H24N2O5 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O5/c1-33-22-15-13-19(16-23(22)34-2)24-25(29(31)32)21-14-12-17-8-6-7-11-20(17)28(21)26(24)27(30)18-9-4-3-5-10-18/h3-16,21,24-26H,1-2H3/t21-,24-,25+,26-/m1/s1InChIKey
KMDKBKFJBUMUOR-ATPOPXNDSA-NSynonyms
1013782-62-1((1R2S3R3aR)2(34dimethoxyphenyl)3nitro1233atetrahydropyrrolo(12a)quinolin1yl)(phenyl)methanone
((1R2S3R3aR)2(34dimethoxyphenyl)3nitro1233atetrahydropyrrolo(12a)quinolin1yl)phenylmethanone
1013782621
COC1=C(C=C(C=C1)C2C(C3C=CC4=CC=CC=C4N3C2C(=O)C5=CC=CC=C5)(N+)(=O)(O))OC
COc1cc(ccc1OC)(C@@H)1(C@@H)((N+)(=O)(O))(C@@H)2N((C@H)1C(=O)c1ccccc1)c1ccccc1C=C2
InChI=1SC27H24N2O5c13322151319(1623(22)342)2425(29(31)32)211412178671120(17)28(21)26(24)27(30)1894351018h316212426H12H3t212425+26m1s1
MFCD18241949
ZINC000009380292
ZINC09380292
ZINC9380292
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