Vitas-M small molecule compound
ethyl 6-tert-butyl-2-[(phenylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK805064
SMILES CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCC(C2)C(C)(C)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 C22H28N2O2S2 MW 416.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O2S2/c1-5-26-20(25)18-16-12-11-14(22(2,3)4)13-17(16)28-19(18)24-21(27)23-15-9-7-6-8-10-15/h6-10,14H,5,11-13H2,1-4H3,(H2,23,24,27)InChIKey
HKOYNSHACORNSJ-UHFFFAOYSA-NSynonyms
332392-78-6332392786
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=S)NC3=CC=CC=C3
ethyl6(tertbutyl)2(3phenylthioureido)4567tetrahydrobenzo(b)thiophene3carboxylate
ethyl6tertbutyl2((phenylcarbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2(phenylcarbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H28N2O2S2c152620(25)1816121114(22(23)4)1317(16)2819(18)2421(27)231597681015h61014H51113H214H3(H2232427)
MFCD01207074
ZINC000002321933
ZINC000002321934
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