Vitas-M small molecule compound

methyl 3-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonyl}amino)thiophene-2-carboxylate

Catalog ID
STK470820
SMILES COC(=O)c1sccc1NC(=O)N1CCN(CC1)Cc1ccc(c(c1)Cl)Cl

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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 C18H19Cl2N3O3S MW 428.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19Cl2N3O3S/c1-26-17(24)16-15(4-9-27-16)21-18(25)23-7-5-22(6-8-23)11-12-2-3-13(19)14(20)10-12/h2-4,9-10H,5-8,11H2,1H3,(H,21,25)
InChIKey
BQGCTWRHHJMNTN-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(C=CS1)NC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)Cl)Cl
InChI=1SC18H19Cl2N3O3Sc12617(24)1615(492716)2118(25)237522(6823)11122313(19)14(20)1012h24910H5811H21H3(H2125)
methyl3(((4(34dichlorobenzyl)piperazin1yl)carbonyl)amino)thiophene2carboxylate
methyl3((4((34dichlorophenyl)methyl)piperazine1carbonyl)amino)thiophene2carboxylate
METHYL3((4((34DICHLOROPHENYL)METHYL)PIPERAZINYL)CARBONYLAMINO)THIOPHENE2CARBOXYLATE
MFCD07625577
ZINC000017095726
ZINC17095726

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.