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-glutamic acid

Catalog ID
STK590923
SMILES OC(=O)CC[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 C23H21N3O7 MW 451.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O7/c27-19(28)9-8-17(22(31)32)24-20(29)14-6-3-7-16(10-14)26-21(30)18-11-13-4-1-2-5-15(13)12-25(18)23(26)33/h1-7,10,17-18H,8-9,11-12H2,(H,24,29)(H,27,28)(H,31,32)/t17-,18+/m1/s1
InChIKey
KEWNXMBPGOQBLL-MSOLQXFVSA-N
Synonyms
1014063-02-5
(2R)2((3((10aS)13dioxo1010adihydro5Himidazo(15b)isoquinolin2yl)benzoyl)amino)pentanedioicacid
(R)2(3((S)13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)benzamido)pentanedioicacid
1014063025
C1C2C(=O)N(C(=O)N2CC3=CC=CC=C31)C4=CC=CC(=C4)C(=O)NC(CCC(=O)O)C(=O)O
InChI=1SC23H21N3O7c2719(28)9817(22(31)32)2420(29)1463716(1014)2621(30)181113412515(13)1225(18)23(26)33h17101718H891112H2(H2429)(H2728)(H3132)t1718+m1s1
MFCD07638604
N((3((10aS)13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)phenyl)carbonyl)Dglutamicacid
OC(=O)CC(C@H)(C(=O)O)NC(=O)c1cccc(c1)N1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1
ZINC000013576870
ZINC13576870

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Available files

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