Vitas-M small molecule compound
ethyl 4-{[(3-ethylpent-1-yn-3-yl)carbamothioyl]amino}benzoate
Catalog ID
STK456418
SMILES CCOC(=O)c1ccc(cc1)NC(=S)NC(C#C)(CC)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 C17H22N2O2S MW 318.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O2S/c1-5-17(6-2,7-3)19-16(22)18-14-11-9-13(10-12-14)15(20)21-8-4/h1,9-12H,6-8H2,2-4H3,(H2,18,19,22)InChIKey
UXIKMUSDEQWPDA-UHFFFAOYSA-NSynonyms
CCC(CC)(C#C)NC(=S)NC1=CC=C(C=C1)C(=O)OCC
ETHYL4((((11DIETHYLPROP2YNYL)AMINO)THIOXOMETHYL)AMINO)BENZOATE
ethyl4(((3ethylpent1yn3yl)carbamothioyl)amino)benzoate
ETHYL4(3ETHYLPENT1YN3YLCARBAMOTHIOYLAMINO)BENZOATE
InChI=1SC17H22N2O2Sc1517(6273)1916(22)181411913(101214)15(20)2184h1912H68H224H3(H2181922)
MFCD04137064
ZINC000000611025
ZINC00611025
ZINC611025
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