Vitas-M small molecule compound
4-bromo-2-(piperidin-1-ylcarbonothioyl)phenyl (2E)-3-phenylprop-2-enoate
Catalog ID
STL382914
SMILES O=C(Oc1ccc(cc1C(=S)N1CCCCC1)Br)/C=C/c1ccccc1
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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 C21H20BrNO2S MW 430.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrNO2S/c22-17-10-11-19(18(15-17)21(26)23-13-5-2-6-14-23)25-20(24)12-9-16-7-3-1-4-8-16/h1,3-4,7-12,15H,2,5-6,13-14H2/b12-9+InChIKey
NQPDEQJFKDQCEC-FMIVXFBMSA-NSynonyms
(4bromo2(piperidine1carbothioyl)phenyl)(E)3phenylprop2enoate
4bromo2(piperidin1ylcarbonothioyl)phenyl(2E)3phenylprop2enoate
C1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C=CC3=CC=CC=C3
InChI=1SC21H20BrNO2Sc2217101119(18(1517)21(26)23135261423)2520(24)129167314816h13471215H2561314H2b129+
MFCD01062548
O=C(Oc1ccc(cc1C(=S)N1CCCCC1)Br)C=Cc1ccccc1
ZINC000034967038
ZINC34967038
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