Vitas-M small molecule compound

N-(4-butoxyphenyl)-4-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]benzamide

Catalog ID
STK598838
SMILES CCCCOc1ccc(cc1)NC(=O)c1ccc(cc1)N1C(=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 C28H27N3O4 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O4/c1-2-3-16-35-24-14-10-22(11-15-24)29-26(32)19-8-12-23(13-9-19)31-27(33)25-17-20-6-4-5-7-21(20)18-30(25)28(31)34/h4-15,25H,2-3,16-18H2,1H3,(H,29,32)/t25-/m0/s1
InChIKey
BDKAHCNOQNFFOW-VWLOTQADSA-N
Synonyms
1014003-02-1
(S)N(4butoxyphenyl)4(13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)benzamide
1014003021
4((10aS)13dioxo1010adihydro5Himidazo(15b)isoquinolin2yl)N(4butoxyphenyl)benzamide
CCCCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4CC5=CC=CC=C5CN4C3=O
CCCCOc1ccc(cc1)NC(=O)c1ccc(cc1)N1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1
InChI=1SC28H27N3O4c123163524141022(111524)2926(32)1981223(13919)3127(33)251720645721(20)1830(25)28(31)34h41525H231618H21H3(H2932)t25m0s1
MFCD18246100
N(4butoxyphenyl)4((10aS)13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)benzamide
ZINC000013554652
ZINC13554652

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Available files

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