Vitas-M small molecule compound

ethyl 2-{[(3,5-dimethylpiperidin-1-yl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate

Catalog ID
STK438604
SMILES CCOC(=O)c1cc(sc1NC(=S)N1CC(C)CC(C1)C)c1ccccc1

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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 C21H26N2O2S2 MW 402.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O2S2/c1-4-25-20(24)17-11-18(16-8-6-5-7-9-16)27-19(17)22-21(26)23-12-14(2)10-15(3)13-23/h5-9,11,14-15H,4,10,12-13H2,1-3H3,(H,22,26)
InChIKey
KDTDSICIBZPHGZ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CC(CC(C3)C)C
ethyl2(((35dimethylpiperidin1yl)carbonothioyl)amino)5phenylthiophene3carboxylate
ETHYL2(((35DIMETHYLPIPERIDYL)THIOXOMETHYL)AMINO)5PHENYLTHIOPHENE3CARBOXYLATE
ETHYL2((35DIMETHYLPIPERIDINE1CARBOTHIOYL)AMINO)5PHENYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H26N2O2S2c142520(24)171118(168657916)2719(17)2221(26)231214(2)1015(3)1323h59111415H4101213H213H3(H2226)
MFCD03945546
ZINC000005980018
ZINC000018081471

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Available files

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