Vitas-M small molecule compound

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

Catalog ID
STK587584
SMILES O=C(NC1(CCCCC1)C(=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 C21H25N3O5 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O5/c25-17(22-21(19(27)28)9-4-1-5-10-21)8-11-23-18(26)16-12-14-6-2-3-7-15(14)13-24(16)20(23)29/h2-3,6-7,16H,1,4-5,8-13H2,(H,22,25)(H,27,28)/t16-/m0/s1
InChIKey
UOOJTHWJKZKZPH-INIZCTEOSA-N
Synonyms
1173684-60-0
(S)1(3(13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)propanamido)cyclohexanecarboxylicacid
1((3((10aS)13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)propanoyl)amino)cyclohexanecarboxylicacid
1(3((10aS)13dioxo1010adihydro5Himidazo(15b)isoquinolin2yl)propanoylamino)cyclohexane1carboxylicacid
1173684600
C1CCC(CC1)(C(=O)O)NC(=O)CCN2C(=O)C3CC4=CC=CC=C4CN3C2=O
InChI=1SC21H25N3O5c2517(2221(19(27)28)94151021)8112318(26)161214623715(14)1324(16)20(23)29h236716H145813H2(H2225)(H2728)t16m0s1
MFCD07640327
O=C(NC1(CCCCC1)C(=O)O)CCN1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1
ZINC000005450889
ZINC5450889

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Available files

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