Vitas-M small molecule compound
ethyl 5-benzyl-2-{[(4-chlorobenzyl)carbamothioyl]amino}thiophene-3-carboxylate
Catalog ID
STK436623
SMILES CCOC(=O)c1cc(sc1NC(=S)NCc1ccc(cc1)Cl)Cc1ccccc1
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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 C22H21ClN2O2S2 MW 445.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O2S2/c1-2-27-21(26)19-13-18(12-15-6-4-3-5-7-15)29-20(19)25-22(28)24-14-16-8-10-17(23)11-9-16/h3-11,13H,2,12,14H2,1H3,(H2,24,25,28)InChIKey
PXNNNRWSSPKIEK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC=C(C=C3)Cl
ETHYL2(((((4CHLOROPHENYL)METHYL)AMINO)THIOXOMETHYL)AMINO)5BENZYLTHIOPHENE3CARBOXYLATE
ethyl5benzyl2(((4chlorobenzyl)carbamothioyl)amino)thiophene3carboxylate
ETHYL5BENZYL2((4CHLOROPHENYL)METHYLCARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC22H21ClN2O2S2c122721(26)191318(12156435715)2920(19)2522(28)24141681017(23)11916h31113H21214H21H3(H2242528)
MFCD03944838
ZINC000019642649
ZINC19642649
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