Vitas-M small molecule compound

methyl 5-ethyl-2-{[(4-methylbenzyl)carbamothioyl]amino}thiophene-3-carboxylate

Catalog ID
STK436136
SMILES COC(=O)c1cc(sc1NC(=S)NCc1ccc(cc1)C)CC

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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 C17H20N2O2S2 MW 348.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O2S2/c1-4-13-9-14(16(20)21-3)15(23-13)19-17(22)18-10-12-7-5-11(2)6-8-12/h5-9H,4,10H2,1-3H3,(H2,18,19,22)
InChIKey
XGCYRXQRJBOYJI-UHFFFAOYSA-N
Synonyms

CCC1=CC(=C(S1)NC(=S)NCC2=CC=C(C=C2)C)C(=O)OC
InChI=1SC17H20N2O2S2c1413914(16(20)213)15(2313)1917(22)1810127511(2)6812h59H410H213H3(H2181922)
METHYL5ETHYL2(((((4METHYLPHENYL)METHYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE3CARBOXYLATE
methyl5ethyl2(((4methylbenzyl)carbamothioyl)amino)thiophene3carboxylate
METHYL5ETHYL2((4METHYLPHENYL)METHYLCARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD03944267
ZINC000006708500
ZINC06708500
ZINC6708500

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Available files

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