Vitas-M small molecule compound
4-bromo-2-(piperidin-1-ylcarbonothioyl)phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Catalog ID
STK759137
SMILES COc1ccc(cc1OC)/C=C/C(=O)Oc1ccc(cc1C(=S)N1CCCCC1)Br
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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 C23H24BrNO4S MW 490.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24BrNO4S/c1-27-20-9-6-16(14-21(20)28-2)7-11-22(26)29-19-10-8-17(24)15-18(19)23(30)25-12-4-3-5-13-25/h6-11,14-15H,3-5,12-13H2,1-2H3/b11-7+InChIKey
JLQRVBNETXNWQD-YRNVUSSQSA-NSynonyms
(4bromo2(piperidine1carbothioyl)phenyl)(E)3(34dimethoxyphenyl)prop2enoate
4bromo2(piperidin1ylcarbonothioyl)phenyl(2E)3(34dimethoxyphenyl)prop2enoate
COC1=C(C=C(C=C1)C=CC(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCCCC3)OC
COc1ccc(cc1OC)C=CC(=O)Oc1ccc(cc1C(=S)N1CCCCC1)Br
InChI=1SC23H24BrNO4Sc127209616(1421(20)282)71122(26)291910817(24)1518(19)23(30)25124351325h6111415H351213H212H3b117+
MFCD01062565
ZINC000000885716
ZINC00885716
ZINC885716
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