Vitas-M small molecule compound

N-{3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]propanoyl}-D-aspartic acid

Catalog ID
STL530046
SMILES O=C(N[C@@H](C(=O)O)CC(=O)O)CCN1C(=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 C18H19N3O7 MW 389.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O7/c22-14(19-12(17(26)27)8-15(23)24)5-6-20-16(25)13-7-10-3-1-2-4-11(10)9-21(13)18(20)28/h1-4,12-13H,5-9H2,(H,19,22)(H,23,24)(H,26,27)/t12-,13+/m1/s1
InChIKey
APSHMGJODIVGBT-OLZOCXBDSA-N
Synonyms
956686-13-8
(2~(R))2(3((10~(a)~(S))13dioxo1010~(a)dihydro5~(H)imidazo(15b)isoquinolin2yl)propanoylamino)butanedioicacid
(R)2(3((S)13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)propanamido)succinicacid
7097121
956686138
InChI=1SC18H19N3O7c2214(1912(17(26)27)815(23)24)562016(25)13710312411(10)921(13)18(20)28h141213H59H2(H1922)(H2324)(H2627)t1213+m1s1
N(3((10aS)13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)propanoyl)Dasparticacid
O=C(N(C@@H)(C(=O)O)CC(=O)O)CCN1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1
ZINC000004090299
ZINC4090299

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Available files

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