Vitas-M small molecule compound

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

Catalog ID
STL066236
SMILES COCCOc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2

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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 C20H23NO5S MW 389.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO5S/c1-24-11-12-26-14-9-7-13(8-10-14)18(22)21-19-17(20(23)25-2)15-5-3-4-6-16(15)27-19/h7-10H,3-6,11-12H2,1-2H3,(H,21,22)
InChIKey
KUCDWABDLNEJAI-UHFFFAOYSA-N
Synonyms

COCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC
InChI=1SC20H23NO5Sc124111226149713(81014)18(22)211917(20(23)252)15534616(15)2719h710H361112H212H3(H2122)
methyl2(((4(2methoxyethoxy)phenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4(2methoxyethoxy)benzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD07551898
ZINC000012138081
ZINC12138081

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Available files

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