Vitas-M small molecule compound
3-bromo-N-{[2-(cyclohex-1-en-1-yl)ethyl]carbamothioyl}-4-(3-methylbutoxy)benzamide
Catalog ID
STL066082
SMILES CC(CCOc1ccc(cc1Br)C(=O)NC(=S)NCCC1=CCCCC1)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 C21H29BrN2O2S MW 453.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29BrN2O2S/c1-15(2)11-13-26-19-9-8-17(14-18(19)22)20(25)24-21(27)23-12-10-16-6-4-3-5-7-16/h6,8-9,14-15H,3-5,7,10-13H2,1-2H3,(H2,23,24,25,27)InChIKey
NQBYUCYUCJOPAL-UHFFFAOYSA-NSynonyms
3bromoN((2(cyclohex1en1yl)ethyl)carbamothioyl)4(3methylbutoxy)benzamide
3bromoN(2(cyclohexen1yl)ethylcarbamothioyl)4(3methylbutoxy)benzamide
CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CCCCC2)Br
InChI=1SC21H29BrN2O2Sc115(2)111326199817(1418(19)22)20(25)2421(27)231210166435716h6891415H3571013H212H3(H223242527)
MFCD07184472
ZINC000012137320
ZINC12137320
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