Vitas-M small molecule compound
ethyl 4-({[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]carbamothioyl}amino)benzoate
Catalog ID
STK311340
SMILES CCOC(=O)c1ccc(cc1)NC(=S)Nc1ccn(n1)C12CC3CC(C2)CC(C1)C3
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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 C23H28N4O2S MW 424.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O2S/c1-2-29-21(28)18-3-5-19(6-4-18)24-22(30)25-20-7-8-27(26-20)23-12-15-9-16(13-23)11-17(10-15)14-23/h3-8,15-17H,2,9-14H2,1H3,(H2,24,25,26,30)InChIKey
BLHHKFRKUPWTRE-UHFFFAOYSA-NSynonyms
895408-27-2895408272
CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4
ethyl4(((1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)carbamothioyl)amino)benzoate
ethyl4((1(1adamantyl)pyrazol3yl)carbamothioylamino)benzoate
InChI=1SC23H28N4O2Sc122921(28)183519(6418)2422(30)25207827(2620)231215916(1323)1117(1015)1423h381517H2914H21H3(H224252630)
MFCD04137498
ZINC000006242379
ZINC06242379
ZINC6242379
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