Vitas-M small molecule compound

2-{[(3-chloro-4-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STL089407
SMILES COc1ccc(cc1Cl)C(=O)Nc1sc2c(c1C(=O)N)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 C17H17ClN2O3S MW 364.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN2O3S/c1-23-12-7-6-9(8-11(12)18)16(22)20-17-14(15(19)21)10-4-2-3-5-13(10)24-17/h6-8H,2-5H2,1H3,(H2,19,21)(H,20,22)
InChIKey
ASKZUOKSRMOIQD-UHFFFAOYSA-N
Synonyms

2(((3chloro4methoxyphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxamide
2((3chloro4methoxybenzoyl)amino)4567tetrahydro1benzothiophene3carboxamide
COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)Cl
InChI=1SC17H17ClN2O3Sc12312769(811(12)18)16(22)201714(15(19)21)10423513(10)2417h68H25H21H3(H21921)(H2022)
MFCD03243642
ZINC000000792533
ZINC00792533
ZINC792533

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Available files

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