Vitas-M small molecule compound
{(1S,2R,3S,3aR)-2-[4-(dimethylamino)phenyl]-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl}(3-nitrophenyl)methanone
Catalog ID
STK554353
SMILES CN(c1ccc(cc1)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@H]1[N+](=O)[O-])C=Cc1c2cccc1)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 C27H24N4O5 MW 484.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O5/c1-28(2)20-13-10-18(11-14-20)24-25(31(35)36)23-15-12-17-6-3-4-9-22(17)29(23)26(24)27(32)19-7-5-8-21(16-19)30(33)34/h3-16,23-26H,1-2H3/t23-,24+,25-,26+/m1/s1InChIKey
AXVIKEQTAYLUKG-ZJSPYRCASA-NSynonyms
1014004-46-6((1S2R3S3aR)2(4(dimethylamino)phenyl)3nitro1233atetrahydropyrrolo(12a)quinolin1yl)(3nitrophenyl)methanone
1014004466
CN(C)C1=CC=C(C=C1)C2C(C3C=CC4=CC=CC=C4N3C2C(=O)C5=CC(=CC=C5)(N+)(=O)(O))(N+)(=O)(O)
CN(c1ccc(cc1)(C@@H)1(C@@H)(C(=O)c2cccc(c2)(N+)(=O)(O))N2(C@@H)((C@H)1(N+)(=O)(O))C=Cc1c2cccc1)C
InChI=1SC27H24N4O5c128(2)20131018(111420)2425(31(35)36)23151217634922(17)29(23)26(24)27(32)1975821(1619)30(33)34h3162326H12H3t2324+2526+m1s1
MFCD18242793
ZINC000009462455
ZINC09462455
ZINC9462455
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