Vitas-M small molecule compound

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

Catalog ID
STK573517
SMILES CSCC[C@H](C(=O)O)NC(=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 C23H23N3O5S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O5S/c1-32-10-9-18(22(29)30)24-20(27)15-7-4-8-17(11-15)26-21(28)19-12-14-5-2-3-6-16(14)13-25(19)23(26)31/h2-8,11,18-19H,9-10,12-13H2,1H3,(H,24,27)(H,29,30)/t18-,19+/m1/s1
InChIKey
STJXLJDLHYJSGY-MOPGFXCFSA-N
Synonyms
1014084-10-6
(2R)2((3((10aS)13dioxo1010adihydro5Himidazo(15b)isoquinolin2yl)benzoyl)amino)4methylsulfanylbutanoicacid
(S)2(3((S)13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)benzamido)4(methylthio)butanoicacid
1014084106
CSCC(C@@H)(C(=O)O)NC(=O)c1cccc(c1)N1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1
CSCC(C@H)(C(=O)O)NC(=O)c1cccc(c1)N1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1
CSCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)N2C(=O)C3CC4=CC=CC=C4CN3C2=O
InChI=1SC23H23N3O5Sc13210918(22(29)30)2420(27)1574817(1115)2621(28)191214523616(14)1325(19)23(26)31h28111819H9101213H21H3(H2427)(H2930)t1819+m1s1
MFCD07639411
N((3((10aS)13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)phenyl)carbonyl)Dmethionine
ZINC000009128913
ZINC9128913

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Available files

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