Vitas-M small molecule compound

ethyl 2-{[4-(4-chloro-2-methylphenoxy)butanoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK428142
SMILES CCOC(=O)c1c(NC(=O)CCCOc2ccc(cc2C)Cl)sc2c1CCCCC2

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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/c1-3-28-23(27)21-17-8-5-4-6-9-19(17)30-22(21)25-20(26)10-7-13-29-18-12-11-16(24)14-15(18)2/h11-12,14H,3-10,13H2,1-2H3,(H,25,26)
InChIKey
JXBGKGPBNJMESQ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCCOC3=C(C=C(C=C3)Cl)C
ethyl2((4(4chloro2methylphenoxy)butanoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(4(4chloro2methylphenoxy)butanoylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC23H28ClNO4Sc132823(27)21178546919(17)3022(21)2520(26)107132918121116(24)1415(18)2h111214H31013H212H3(H2526)
MFCD01835547
ZINC000008443723
ZINC08443723
ZINC8443723

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Available files

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