Vitas-M small molecule compound
N-{6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]hexanoyl}-D-alanine
Catalog ID
STL531910
SMILES O=C(N[C@@H](C(=O)O)C)CCCCCN1C(=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 C20H25N3O5 MW 387.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O5/c1-13(19(26)27)21-17(24)9-3-2-6-10-22-18(25)16-11-14-7-4-5-8-15(14)12-23(16)20(22)28/h4-5,7-8,13,16H,2-3,6,9-12H2,1H3,(H,21,24)(H,26,27)/t13-,16+/m1/s1InChIKey
CMIUIQBJLSGJOM-CJNGLKHVSA-NSynonyms
1173672-22-4(2~(R))2(6((10~(a)~(S))13dioxo1010~(a)dihydro5~(H)imidazo(15b)isoquinolin2yl)hexanoylamino)propanoicacid
(R)2(6((S)13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)hexanamido)propanoicacid
1173672224
7097218
InChI=1SC20H25N3O5c113(19(26)27)2117(24)9326102218(25)161114745815(14)1223(16)20(22)28h45781316H236912H21H3(H2124)(H2627)t1316+m1s1
N(6((10aS)13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)hexanoyl)Dalanine
O=C(N(C@@H)(C(=O)O)C)CCCCCN1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1
ZINC000004090438
ZINC4090438
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