Vitas-M small molecule compound

6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(4-methylbenzyl)hexanamide

Catalog ID
STK594283
SMILES O=C(NCc1ccc(cc1)C)CCCCCN1C(=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 C25H29N3O3 MW 419.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O3/c1-18-10-12-19(13-11-18)16-26-23(29)9-3-2-6-14-27-24(30)22-15-20-7-4-5-8-21(20)17-28(22)25(27)31/h4-5,7-8,10-13,22H,2-3,6,9,14-17H2,1H3,(H,26,29)/t22-/m0/s1
InChIKey
ZHYWTJDRUPCYPD-QFIPXVFZSA-N
Synonyms
1173674-50-4
(S)6(13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)N(4methylbenzyl)hexanamide
1173674504
6((10aS)13dioxo1010adihydro5Himidazo(15b)isoquinolin2yl)N((4methylphenyl)methyl)hexanamide
6((10aS)13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)N(4methylbenzyl)hexanamide
CC1=CC=C(C=C1)CNC(=O)CCCCCN2C(=O)C3CC4=CC=CC=C4CN3C2=O
InChI=1SC25H29N3O3c118101219(131118)162623(29)9326142724(30)221520745821(20)1728(22)25(27)31h4578101322H23691417H21H3(H2629)t22m0s1
MFCD07638453
O=C(NCc1ccc(cc1)C)CCCCCN1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1
ZINC000005355077
ZINC05355077
ZINC5355077

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Available files

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