Vitas-M small molecule compound
3-bromo-4-ethoxy-N-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]carbamothioyl}benzamide
Catalog ID
STK164079
SMILES CCOc1ccc(cc1Br)C(=O)NC(=S)NC(C12CC3CC(C2)CC(C1)C3)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 C22H29BrN2O2S MW 465.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29BrN2O2S/c1-3-27-19-5-4-17(9-18(19)23)20(26)25-21(28)24-13(2)22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,13-16H,3,6-8,10-12H2,1-2H3,(H2,24,25,26,28)InChIKey
DILWWOSVDBVGAG-UHFFFAOYSA-NSynonyms
3bromo4ethoxyN((1(tricyclo(3311~37~)dec1yl)ethyl)carbamothioyl)benzamide
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC(C)C23CC4CC(C2)CC(C4)C3)Br
InChI=1SC22H29BrN2O2Sc1327195417(918(19)23)20(26)2521(28)2413(2)221014615(1122)816(714)1222h4591316H3681012H212H3(H224252628)
MFCD03271060
N(1(1ADAMANTYL)ETHYL)N(3BROMO4ETHOXYBENZOYL)THIOUREA
N(1(1ADAMANTYL)ETHYLCARBAMOTHIOYL)3BROMO4ETHOXYBENZAMIDE
ZINC000008443403
ZINC000008443405
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