Vitas-M small molecule compound

2-(4-fluorobenzyl)-3-[(thiophen-2-ylmethyl)amino]-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one

Catalog ID
STK075918
SMILES Fc1ccc(cc1)CN1C(NCc2cccs2)C2=C(C1=O)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 C20H21FN2OS MW 356.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21FN2OS/c21-15-9-7-14(8-10-15)13-23-19(22-12-16-4-3-11-25-16)17-5-1-2-6-18(17)20(23)24/h3-4,7-11,19,22H,1-2,5-6,12-13H2
InChIKey
NLIZEKWOPKLVDC-UHFFFAOYSA-N
Synonyms

2((4fluorophenyl)methyl)3(thiophen2ylmethylamino)4567tetrahydro3Hisoindol1one
2(4fluorobenzyl)3((thiophen2ylmethyl)amino)234567hexahydro1Hisoindol1one
C1CCC2=C(C1)C(N(C2=O)CC3=CC=C(C=C3)F)NCC4=CC=CS4
Fc1ccc(cc1)CN1C(NCc2cccs2)C2=C(C1=O)CCCC2
InChI=1SC20H21FN2OSc21159714(81015)132319(22121643112516)17512618(17)20(23)24h347111922H12561213H2
MFCD11851083
STK075918
ZINC000013899324
ZINC000013899326

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Available files

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