Vitas-M small molecule compound

6-[(10aS)-7,8-dimethoxy-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(1,3-thiazol-2-yl)hexanamide

Catalog ID
STK619473
SMILES COc1cc2CN3C(=O)N(C(=O)[C@@H]3Cc2cc1OC)CCCCCC(=O)Nc1nccs1

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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 C22H26N4O5S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O5S/c1-30-17-11-14-10-16-20(28)25(22(29)26(16)13-15(14)12-18(17)31-2)8-5-3-4-6-19(27)24-21-23-7-9-32-21/h7,9,11-12,16H,3-6,8,10,13H2,1-2H3,(H,23,24,27)/t16-/m0/s1
InChIKey
WQHZQOSNDBPRGP-INIZCTEOSA-N
Synonyms
1013749-71-7
(S)6(78dimethoxy13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)N(thiazol2yl)hexanamide
1013749717
6((10aS)78dimethoxy13dioxo1010adihydro5Himidazo(15b)isoquinolin2yl)N(13thiazol2yl)hexanamide
6((10aS)78dimethoxy13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)N(13thiazol2yl)hexanamide
COC1=C(C=C2CN3C(CC2=C1)C(=O)N(C3=O)CCCCCC(=O)NC4=NC=CS4)OC
COc1cc2CN3C(=O)N(C(=O)(C@@H)3Cc2cc1OC)CCCCCC(=O)Nc1nccs1
InChI=1SC22H26N4O5Sc130171114101620(28)25(22(29)26(16)1315(14)1218(17)312)8534619(27)242123793221h79111216H3681013H212H3(H232427)t16m0s1
MFCD09858882
ZINC000013735821
ZINC13735821

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Available files

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