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-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]butanamide

Catalog ID
STL551001
SMILES COc1cc2CN3C(=O)N(C(=O)[C@@H]3Cc2cc1OC)CCCC(=O)N(C[C@@H]1CCCN2[C@@H]1CCCC2)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 C28H40N4O5 MW 512.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40N4O5/c1-29(17-19-8-6-12-30-11-5-4-9-22(19)30)26(33)10-7-13-31-27(34)23-14-20-15-24(36-2)25(37-3)16-21(20)18-32(23)28(31)35/h15-16,19,22-23H,4-14,17-18H2,1-3H3/t19-,22+,23-/m0/s1
InChIKey
HOGVKLHBMYNKDG-PMOQBDJRSA-N
Synonyms

~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)4((10~(a)~(S))78dimethoxy13dioxo1010~(a)dihydro5~(H)imidazo(15b)isoquinolin2yl)~(N)methylbutanamide
127253837
4((10aS)78dimethoxy13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)NmethylN((1S9aR)octahydro2Hquinolizin1ylmethyl)butanamide
4((S)78dimethoxy13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)NmethylN(((1S9aR)octahydro1Hquinolizin1yl)methyl)butanamide
COc1cc2CN3C(=O)N(C(=O)(C@@H)3Cc2cc1OC)CCCC(=O)N(C(C@@H)1CCCN2(C@@H)1CCCC2)C
InChI=1SC28H40N4O5c129(17198612301154922(19)30)26(33)107133127(34)2314201524(362)25(373)1621(20)1832(23)28(31)35h1516192223H4141718H213H3t1922+23m0s1
ZINC000604403993
ZINC604403993

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Available files

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