Vitas-M small molecule compound

2-({2-[2-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)-1H-isoindole-1,3(2H)-dione

Catalog ID
STK530960
SMILES Fc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1CCc2c(C1CN1C(=O)c3c(C1=O)cccc3)cccc2

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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 C31H27FN4O3 MW 522.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27FN4O3/c32-20-9-10-26-24(15-20)25-16-35(14-12-27(25)33-26)29(37)18-34-13-11-19-5-1-2-6-21(19)28(34)17-36-30(38)22-7-3-4-8-23(22)31(36)39/h1-10,15,28,33H,11-14,16-18H2
InChIKey
SQQNGDUWEUSKFU-UHFFFAOYSA-N
Synonyms

2((2(2(8fluoro1345tetrahydro2Hpyrido(43b)indol2yl)2oxoethyl)1234tetrahydroisoquinolin1yl)methyl)1Hisoindole13(2H)dione
2((2(2(8fluoro1345tetrahydropyrido(43b)indol2yl)2oxoethyl)34dihydro1Hisoquinolin1yl)methyl)isoindole13dione
2((2(2(8fluoro34dihydro1Hpyrido(43b)indol2(5H)yl)2oxoethyl)1234tetrahydroisoquinolin1yl)methyl)isoindoline13dione
C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)CC(=O)N5CCC6=C(C5)C7=C(N6)C=CC(=C7)F
Fc1ccc2c(c1)c1CN(CCc1(nH)2)C(=O)CN1CCc2c(C1CN1C(=O)c3c(C1=O)cccc3)cccc2
InChI=1SC31H27FN4O3c32209102624(1520)251635(141227(25)3326)29(37)1834131119512621(19)28(34)173630(38)22734823(22)31(36)39h110152833H11141618H2
MFCD02241142
ZINC000036080451
ZINC000036080452

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.