Vitas-M small molecule compound

ethyl 4-[({[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl}carbamothioyl)amino]benzoate

Catalog ID
STK234692
SMILES CCOC(=O)c1ccc(cc1)NC(=S)NCC1CCN(CC1)Cc1cccs1

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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 C21H27N3O2S2 MW 417.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O2S2/c1-2-26-20(25)17-5-7-18(8-6-17)23-21(27)22-14-16-9-11-24(12-10-16)15-19-4-3-13-28-19/h3-8,13,16H,2,9-12,14-15H2,1H3,(H2,22,23,27)
InChIKey
MAJRTLHJNGZEGX-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2CCN(CC2)CC3=CC=CS3
ethyl4((((1(thiophen2ylmethyl)piperidin4yl)methyl)carbamothioyl)amino)benzoate
ETHYL4((1(THIOPHEN2YLMETHYL)PIPERIDIN4YL)METHYLCARBAMOTHIOYLAMINO)BENZOATE
InChI=1SC21H27N3O2S2c122620(25)175718(8617)2321(27)22141691124(121016)151943132819h381316H29121415H21H3(H2222327)
MFCD07658742
ZINC000004710320
ZINC4710320

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Available files

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