Vitas-M small molecule compound

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

Catalog ID
STK421195
SMILES COC(=O)c1c(NC(=O)CCCOc2ccc(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 C21H24ClNO4S MW 421.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24ClNO4S/c1-13-12-14(22)9-10-16(13)27-11-5-8-18(24)23-20-19(21(25)26-2)15-6-3-4-7-17(15)28-20/h9-10,12H,3-8,11H2,1-2H3,(H,23,24)
InChIKey
LTIJIFITPSCDJZ-UHFFFAOYSA-N
Synonyms
353467-99-9
353467999
CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC
InChI=1SC21H24ClNO4Sc1131214(22)91016(13)27115818(24)232019(21(25)262)15634717(15)2820h91012H3811H212H3(H2324)
methyl2((4(4chloro2methylphenoxy)butanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(4(4chloro2methylphenoxy)butanoylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD01329491
ZINC000002795767
ZINC02795767
ZINC2795767

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Available files

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