Vitas-M small molecule compound

N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(4-chloro-2-methylphenoxy)butanamide

Catalog ID
STK428173
SMILES N#Cc1c(NC(=O)CCCOc2ccc(cc2C)Cl)sc2c1CCC(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 C24H29ClN2O2S MW 445.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29ClN2O2S/c1-15-12-17(25)8-10-20(15)29-11-5-6-22(28)27-23-19(14-26)18-9-7-16(24(2,3)4)13-21(18)30-23/h8,10,12,16H,5-7,9,11,13H2,1-4H3,(H,27,28)
InChIKey
MLPPBXWEZNLMTN-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N
InChI=1SC24H29ClN2O2Sc1151217(25)81020(15)29115622(28)272319(1426)189716(24(23)4)1321(18)3023h8101216H5791113H214H3(H2728)
MFCD03376744
N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)4(4chloro2methylphenoxy)butanamide
ZINC000002087347
ZINC000002087351

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Available files

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