Vitas-M small molecule compound

methyl 2-{[2-(3-chlorophenoxy)propanoyl]amino}-4-ethyl-5-methylthiophene-3-carboxylate

Catalog ID
STK441714
SMILES COC(=O)c1c(NC(=O)C(Oc2cccc(c2)Cl)C)sc(c1CC)C

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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 C18H20ClNO4S MW 381.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClNO4S/c1-5-14-11(3)25-17(15(14)18(22)23-4)20-16(21)10(2)24-13-8-6-7-12(19)9-13/h6-10H,5H2,1-4H3,(H,20,21)
InChIKey
ATMZIKUREIUTEZ-UHFFFAOYSA-N
Synonyms

CCC1=C(SC(=C1C(=O)OC)NC(=O)C(C)OC2=CC(=CC=C2)Cl)C
InChI=1SC18H20ClNO4Sc151411(3)2517(15(14)18(22)234)2016(21)10(2)241386712(19)913h610H5H214H3(H2021)
METHYL2(((2S)2(3CHLOROPHENOXY)PROPANOYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
methyl2((2(3chlorophenoxy)propanoyl)amino)4ethyl5methylthiophene3carboxylate
METHYL2(2(3CHLOROPHENOXY)PROPANOYLAMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
MFCD03385039
ZINC000001111780
ZINC000001111782

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Available files

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