Vitas-M small molecule compound
ethyl 5-benzyl-2-({[2-(cyclohexylcarbamothioyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate
Catalog ID
STK457474
SMILES CCOC(=O)c1cc(sc1NC(=S)NNC(=S)NC1CCCCC1)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 C22H28N4O2S3 MW 476.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O2S3/c1-2-28-20(27)18-14-17(13-15-9-5-3-6-10-15)31-19(18)24-22(30)26-25-21(29)23-16-11-7-4-8-12-16/h3,5-6,9-10,14,16H,2,4,7-8,11-13H2,1H3,(H2,23,25,29)(H2,24,26,30)InChIKey
UEVZLYATJHHNJF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=S)NC3CCCCC3
ETHYL2(((2((CYCLOHEXYLAMINO)THIOXOMETHYL)HYDRAZINO)THIOXOMETHYL)AMINO)5BENZYLTHIOPHENE3CARBOXYLATE
ethyl5benzyl2(((2(cyclohexylcarbamothioyl)hydrazinyl)carbonothioyl)amino)thiophene3carboxylate
ETHYL5BENZYL2((CYCLOHEXYLCARBAMOTHIOYLAMINO)CARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC22H28N4O2S3c122820(27)181417(131595361015)3119(18)2422(30)262521(29)2316117481216h3569101416H24781113H21H3(H2232529)(H2242630)
MFCD04137410
ZINC000016345595
ZINC16345595
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