Vitas-M small molecule compound

1-({3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]phenyl}carbonyl)-L-proline

Catalog ID
STK593804
SMILES O=C(N1CCC[C@H]1C(=O)O)c1cccc(c1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

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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 C23H21N3O5 MW 419.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O5/c27-20(24-10-4-9-18(24)22(29)30)15-7-3-8-17(11-15)26-21(28)19-12-14-5-1-2-6-16(14)13-25(19)23(26)31/h1-3,5-8,11,18-19H,4,9-10,12-13H2,(H,29,30)/t18-,19-/m0/s1
InChIKey
KGKXIHFHWCCXBH-OALUTQOASA-N
Synonyms
1014020-89-3
(2S)1(3((10aS)13dioxo1010adihydro5Himidazo(15b)isoquinolin2yl)benzoyl)pyrrolidine2carboxylicacid
(S)1(3((S)13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)benzoyl)pyrrolidine2carboxylicacid
1((3((10aS)13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)phenyl)carbonyl)Lproline
1014020893
C1CC(N(C1)C(=O)C2=CC(=CC=C2)N3C(=O)C4CC5=CC=CC=C5CN4C3=O)C(=O)O
InChI=1SC23H21N3O5c2720(24104918(24)22(29)30)1573817(1115)2621(28)191214512616(14)1325(19)23(26)31h1358111819H49101213H2(H2930)t1819m0s1
MFCD07638785
O=C(N1CCC(C@H)1C(=O)O)c1cccc(c1)N1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1
ZINC000013577018
ZINC13577018

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Available files

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