Vitas-M small molecule compound
ethyl 2-[(butanoylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK163476
SMILES CCCC(=O)NC(=S)Nc1sc2c(c1C(=O)OCC)CCCC2
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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 C16H22N2O3S2 MW 354.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N2O3S2/c1-3-7-12(19)17-16(22)18-14-13(15(20)21-4-2)10-8-5-6-9-11(10)23-14/h3-9H2,1-2H3,(H2,17,18,19,22)InChIKey
XPJIRTAKJUMMPJ-UHFFFAOYSA-NSynonyms
CCCC(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OCC
ethyl2((butanoylcarbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(butanoylcarbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC16H22N2O3S2c13712(19)1716(22)181413(15(20)2142)10856911(10)2314h39H212H3(H217181922)
MFCD02945502
ZINC000000724343
ZINC00724343
ZINC724343
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