Vitas-M small molecule compound
4-[(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)butanamide
Catalog ID
STK624759
SMILES COc1cc2CN3C(=O)N(C(=O)[C@@H]3Cc2cc1OC)CCCC(=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 C20H22N4O5S MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O5S/c1-28-15-9-12-8-14-18(26)23(6-3-4-17(25)22-19-21-5-7-30-19)20(27)24(14)11-13(12)10-16(15)29-2/h5,7,9-10,14H,3-4,6,8,11H2,1-2H3,(H,21,22,25)/t14-/m0/s1InChIKey
PIRSWAGXSKUYTI-AWEZNQCLSA-NSynonyms
1013794-67-6(S)4(78dimethoxy13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)N(thiazol2yl)butanamide
1013794676
4((10aS)78dimethoxy13dioxo1010adihydro5Himidazo(15b)isoquinolin2yl)N(13thiazol2yl)butanamide
4((10aS)78dimethoxy13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)N(13thiazol2yl)butanamide
COC1=C(C=C2CN3C(CC2=C1)C(=O)N(C3=O)CCCC(=O)NC4=NC=CS4)OC
COc1cc2CN3C(=O)N(C(=O)(C@@H)3Cc2cc1OC)CCCC(=O)Nc1nccs1
InChI=1SC20H22N4O5Sc1281591281418(26)23(63417(25)221921573019)20(27)24(14)1113(12)1016(15)292h5791014H346811H212H3(H212225)t14m0s1
MFCD09857326
ZINC000013729826
ZINC13729826
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