Vitas-M small molecule compound

2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-(2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-isoindol-1-one

Catalog ID
STK192171
SMILES O=C(N1CCN(CC1)c1ccccc1F)CN1C(=O)c2c(C1c1c(C)[nH]c3c1cccc3)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 C29H27FN4O2 MW 482.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27FN4O2/c1-19-27(22-10-4-6-12-24(22)31-19)28-20-8-2-3-9-21(20)29(36)34(28)18-26(35)33-16-14-32(15-17-33)25-13-7-5-11-23(25)30/h2-13,28,31H,14-18H2,1H3
InChIKey
VXZZQYKFULVSGD-UHFFFAOYSA-N
Synonyms

2(2(4(2FLUOROPHENYL)PIPERAZIN1YL)2OXOETHYL)3(2METHYL1HINDOL3YL)23DIHYDRO1HISOINDOL1ONE
2(2(4(2fluorophenyl)piperazin1yl)2oxoethyl)3(2methyl1Hindol3yl)3Hisoindol1one
CC1=C(C2=CC=CC=C2N1)C3C4=CC=CC=C4C(=O)N3CC(=O)N5CCN(CC5)C6=CC=CC=C6F
InChI=1SC29H27FN4O2c11927(2210461224(22)3119)2820823921(20)29(36)34(28)1826(35)33161432(151733)2513751123(25)30h2132831H1418H21H3
MFCD13368523
O=C(N1CCN(CC1)c1ccccc1F)CN1C(=O)c2c(C1c1c(C)(nH)c3c1cccc3)cccc2
ZINC000027489019
ZINC000027489020

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Available files

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