Vitas-M small molecule compound

N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propylpiperazin-1-yl)acetamide

Catalog ID
STK454515
SMILES CCCN1CCN(CC1)CC(=O)Nc1sc2c(c1C#N)CCC(C2)C(C)(C)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 C22H34N4OS MW 402.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H34N4OS/c1-5-8-25-9-11-26(12-10-25)15-20(27)24-21-18(14-23)17-7-6-16(22(2,3)4)13-19(17)28-21/h16H,5-13,15H2,1-4H3,(H,24,27)
InChIKey
KQIHDXNQFFHYTF-UHFFFAOYSA-N
Synonyms

CCCN1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N
InChI=1SC22H34N4OSc1582591126(121025)1520(27)242118(1423)177616(22(23)4)1319(17)2821h16H51315H214H3(H2427)
MFCD04226581
N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)2(4propylpiperazin1yl)acetamide
ZINC000020568801
ZINC000020568802

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Available files

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