Vitas-M small molecule compound
2-ethoxy-4-(piperidin-1-ylcarbonothioyl)phenyl 2,4-dichlorobenzoate
Catalog ID
STK079325
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1Cl)Cl)C(=S)N1CCCCC1
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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 C21H21Cl2NO3S MW 438.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2NO3S/c1-2-26-19-12-14(20(28)24-10-4-3-5-11-24)6-9-18(19)27-21(25)16-8-7-15(22)13-17(16)23/h6-9,12-13H,2-5,10-11H2,1H3InChIKey
HUQCUCRFQUTIKR-UHFFFAOYSA-NSynonyms
(2ETHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL)24DICHLOROBENZOATE
2ETHOXY4(PIPERIDIN1YLCARBONOTHIOYL)PHENYL24DICHLOROBENZOATE
CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
CCOc1cc(ccc1OC(=O)c1ccc(cc1Cl)Cl)C(=S)N1CCCCC1
InChI=1SC21H21Cl2NO3Sc1226191214(20(28)24104351124)6918(19)2721(25)168715(22)1317(16)23h691213H251011H21H3
MFCD02272766
STK079325
ZINC000001158678
ZINC01158678
ZINC1158678
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