Vitas-M small molecule compound

methyl 2-{[(3-ethylpent-1-yn-3-yl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate

Catalog ID
STK467328
SMILES COC(=O)c1cc(sc1NC(=S)NC(C#C)(CC)CC)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 C15H20N2O2S2 MW 324.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20N2O2S2/c1-6-15(7-2,8-3)17-14(20)16-12-11(13(18)19-5)9-10(4)21-12/h1,9H,7-8H2,2-5H3,(H2,16,17,20)
InChIKey
ZGUKAZHEMBELBY-UHFFFAOYSA-N
Synonyms

CCC(CC)(C#C)NC(=S)NC1=C(C=C(S1)C)C(=O)OC
InChI=1SC15H20N2O2S2c1615(7283)1714(20)161211(13(18)195)910(4)2112h19H78H225H3(H2161720)
METHYL2((((11DIETHYLPROP2YNYL)AMINO)THIOXOMETHYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
methyl2(((3ethylpent1yn3yl)carbamothioyl)amino)5methylthiophene3carboxylate
methyl2(3ethylpent1yn3ylcarbamothioylamino)5methylthiophene3carboxylate
MFCD06195013
ZINC000017066513
ZINC17066513

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Available files

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