Vitas-M small molecule compound

methyl 2-{[2-(2,4-dichlorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK024708
SMILES COC(=O)c1c(NC(=O)C(Oc2ccc(cc2Cl)Cl)C)sc2c1CCCC2

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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 C19H19Cl2NO4S MW 428.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19Cl2NO4S/c1-10(26-14-8-7-11(20)9-13(14)21)17(23)22-18-16(19(24)25-2)12-5-3-4-6-15(12)27-18/h7-10H,3-6H2,1-2H3,(H,22,23)
InChIKey
SBWVMCVMQLPONZ-UHFFFAOYSA-N
Synonyms

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OC3=C(C=C(C=C3)Cl)Cl
COC(=O)c1c(NC(=O)C(Oc2ccc(cc2Cl)Cl)C)sc2c1CCCC2
InChI=1SC19H19Cl2NO4Sc110(26148711(20)913(14)21)17(23)221816(19(24)252)12534615(12)2718h710H36H212H3(H2223)
methyl2((2(24dichlorophenoxy)propanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2(24dichlorophenoxy)propanoylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD01344273
STK024708
ZINC000002131823
ZINC000002131825

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Available files

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