Vitas-M small molecule compound

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

Catalog ID
STK597896
SMILES CC(c1ccc(cc1)NC(=O)c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)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 C27H25N3O3 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O3/c1-17(2)18-7-11-22(12-8-18)28-25(31)19-9-13-23(14-10-19)30-26(32)24-15-20-5-3-4-6-21(20)16-29(24)27(30)33/h3-14,17,24H,15-16H2,1-2H3,(H,28,31)/t24-/m0/s1
InChIKey
DLZKACRWTNMZTD-DEOSSOPVSA-N
Synonyms
1014086-84-0
(S)4(13dioxo1010adihydroimidazo(15b)isoquinolin2(1H3H5H)yl)N(4isopropylphenyl)benzamide
1014086840
4((10aS)13dioxo1010adihydro5Himidazo(15b)isoquinolin2yl)N(4propan2ylphenyl)benzamide
4((10aS)13dioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)N(4(propan2yl)phenyl)benzamide
CC(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4CC5=CC=CC=C5CN4C3=O
CC(c1ccc(cc1)NC(=O)c1ccc(cc1)N1C(=O)(C@H)2N(C1=O)Cc1c(C2)cccc1)C
InChI=1SC27H25N3O3c117(2)1871122(12818)2825(31)1991323(141019)3026(32)241520534621(20)1629(24)27(30)33h3141724H1516H212H3(H2831)t24m0s1
MFCD18246072
ZINC000009446638
ZINC09446638
ZINC9446638

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Available files

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