Vitas-M small molecule compound

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

Catalog ID
STK016874
SMILES COC(=O)c1c(NC(=O)COc2ccc(cc2C)Cl)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 C19H20ClNO4S MW 393.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20ClNO4S/c1-11-9-12(20)7-8-14(11)25-10-16(22)21-18-17(19(23)24-2)13-5-3-4-6-15(13)26-18/h7-9H,3-6,10H2,1-2H3,(H,21,22)
InChIKey
QUGKQTRKCVJFDY-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC
COC(=O)c1c(NC(=O)COc2ccc(cc2C)Cl)sc2c1CCCC2
InChI=1SC19H20ClNO4Sc111912(20)7814(11)251016(22)211817(19(23)242)13534615(13)2618h79H3610H212H3(H2122)
methyl2(((4chloro2methylphenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(4chloro2methylphenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD00783357
STK016874
ZINC000000655503
ZINC00655503
ZINC655503

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Available files

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