Vitas-M small molecule compound

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

Catalog ID
STK418904
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)CCCOc1ccc(cc1C)Cl

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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 C23H28ClNO4S MW 450.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28ClNO4S/c1-4-15-7-9-17-19(13-15)30-22(21(17)23(27)28-3)25-20(26)6-5-11-29-18-10-8-16(24)12-14(18)2/h8,10,12,15H,4-7,9,11,13H2,1-3H3,(H,25,26)
InChIKey
FRKURMFWCDQBBO-UHFFFAOYSA-N
Synonyms
354544-39-1
354544391
CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCOC3=C(C=C(C=C3)Cl)C
InChI=1SC23H28ClNO4Sc1415791719(1315)3022(21(17)23(27)283)2520(26)6511291810816(24)1214(18)2h8101215H4791113H213H3(H2526)
methyl2((4(4chloro2methylphenoxy)butanoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
methyl2(4(4chloro2methylphenoxy)butanoylamino)6ethyl4567tetrahydro1benzothiophene3carboxylate
MFCD01341311
ZINC000002737298
ZINC000002737299

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Available files

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