Vitas-M small molecule compound

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]butanamide

Catalog ID
STK626959
SMILES O=C(NCCc1c[nH]c2c1cc(Cl)cc2)CCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

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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 C25H25ClN4O3 MW 464.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN4O3/c26-19-7-8-21-20(13-19)17(14-28-21)9-10-27-23(31)6-3-11-29-24(32)22-12-16-4-1-2-5-18(16)15-30(22)25(29)33/h1-2,4-5,7-8,13-14,22,28H,3,6,9-12,15H2,(H,27,31)/t22-/m0/s1
InChIKey
YZJMONCCYVIPFX-QFIPXVFZSA-N
Synonyms
1014408-57-1
(S)N(2(5chloro1Hindol3yl)ethyl)4(13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)butanamide
1014408571
4((10aS)13dioxo1010adihydro5Himidazo(15b)isoquinolin2yl)N(2(5chloro1Hindol3yl)ethyl)butanamide
C1C2C(=O)N(C(=O)N2CC3=CC=CC=C31)CCCC(=O)NCCC4=CNC5=C4C=C(C=C5)Cl
InChI=1SC25H25ClN4O3c2619782120(1319)17(142821)9102723(31)63112924(32)221216412518(16)1530(22)25(29)33h12457813142228H3691215H2(H2731)t22m0s1
MFCD09851652
N(2(5chloro1Hindol3yl)ethyl)4((10aS)13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)butanamide
O=C(NCCc1c(nH)c2c1cc(Cl)cc2)CCCN1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1
ZINC000013690302
ZINC13690302

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Available files

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