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-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]butanamide
Catalog ID
STL550626
SMILES COc1cc2CN3C(=O)N(C(=O)[C@@H]3Cc2cc1OC)CCCC(=O)NC[C@@H]1CCCN2[C@@H]1CCCC2
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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 C27H38N4O5 MW 498.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N4O5/c1-35-23-14-19-13-22-26(33)30(27(34)31(22)17-20(19)15-24(23)36-2)12-6-9-25(32)28-16-18-7-5-11-29-10-4-3-8-21(18)29/h14-15,18,21-22H,3-13,16-17H2,1-2H3,(H,28,32)/t18-,21+,22-/m0/s1InChIKey
YMFJAERTIFWVSC-BWAGFHJFSA-NSynonyms
~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)4((10~(a)~(S))78dimethoxy13dioxo1010~(a)dihydro5~(H)imidazo(15b)isoquinolin2yl)butanamide
127252566
4((10aS)78dimethoxy13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)N((1S9aR)octahydro2Hquinolizin1ylmethyl)butanamide
4((S)78dimethoxy13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)butanamide
COc1cc2CN3C(=O)N(C(=O)(C@@H)3Cc2cc1OC)CCCC(=O)NC(C@@H)1CCCN2(C@@H)1CCCC2
InChI=1SC27H38N4O5c135231419132226(33)30(27(34)31(22)1720(19)1524(23)362)126925(32)2816187511291043821(18)29h1415182122H3131617H212H3(H2832)t1821+22m0s1
ZINC000604406023
ZINC604406023
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