Vitas-M small molecule compound

(10aS)-7,8-dimethoxy-2-[4-oxo-4-(pyrrolidin-1-yl)butyl]-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione

Catalog ID
STK625971
SMILES COc1cc2CN3C(=O)N(C(=O)[C@@H]3Cc2cc1OC)CCCC(=O)N1CCCC1

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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 C21H27N3O5 MW 401.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O5/c1-28-17-11-14-10-16-20(26)23(9-5-6-19(25)22-7-3-4-8-22)21(27)24(16)13-15(14)12-18(17)29-2/h11-12,16H,3-10,13H2,1-2H3/t16-/m0/s1
InChIKey
WABAHZSHOQPFRT-INIZCTEOSA-N
Synonyms
1014406-17-7
(10aS)78dimethoxy2(4oxo4(pyrrolidin1yl)butyl)1010adihydroimidazo(15b)isoquinoline13(2H5H)dione
(10aS)78dimethoxy2(4oxo4pyrrolidin1ylbutyl)1010adihydro5Himidazo(15b)isoquinoline13dione
(S)78dimethoxy2(4oxo4(pyrrolidin1yl)butyl)1010adihydroimidazo(15b)isoquinoline13(2H5H)dione
1014406177
COC1=C(C=C2CN3C(CC2=C1)C(=O)N(C3=O)CCCC(=O)N4CCCC4)OC
COc1cc2CN3C(=O)N(C(=O)(C@@H)3Cc2cc1OC)CCCC(=O)N1CCCC1
InChI=1SC21H27N3O5c128171114101620(26)23(95619(25)22734822)21(27)24(16)1315(14)1218(17)292h111216H31013H212H3t16m0s1
MFCD09854056
ZINC000013693262
ZINC13693262

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Available files

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