Vitas-M small molecule compound
(2S,3S)-2-(3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)-3-methylpentanoic acid
Catalog ID
STL532879
SMILES CCC([C@@H](C(=O)O)NC(=O)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)C
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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/c1-3-12(2)17(19(26)27)21-16(24)8-9-22-18(25)15-10-13-6-4-5-7-14(13)11-23(15)20(22)28/h4-7,12,15,17H,3,8-11H2,1-2H3,(H,21,24)(H,26,27)/t12?,15-,17-/m0/s1InChIKey
XJTSJQPZGPWPLA-GQHGFMKCSA-NSynonyms
956196-80-8(2~(S))2(3((10~(a)~(S))13dioxo1010~(a)dihydro5~(H)imidazo(15b)isoquinolin2yl)propanoylamino)3methylpentanoicacid
(2S3S)2(3((S)13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)propanamido)3methylpentanoicacid
16405703
956196808
CCC((C@@H)(C(=O)O)NC(=O)CCN1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1)C
InChI=1SC20H25N3O5c1312(2)17(19(26)27)2116(24)892218(25)151013645714(13)1123(15)20(22)28h47121517H3811H212H3(H2124)(H2627)t12?1517m0s1
MFCD07637162
ZINC000004090332
ZINC000012888645
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