Vitas-M small molecule compound

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

Catalog ID
STK421895
SMILES CCCOC(=O)c1c(NC(=O)C(Oc2ccc(cc2C)Cl)C)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/c1-4-12-28-23(27)20-17-8-6-5-7-9-19(17)30-22(20)25-21(26)15(3)29-18-11-10-16(24)13-14(18)2/h10-11,13,15H,4-9,12H2,1-3H3,(H,25,26)
InChIKey
GFDULDDKOPFLTP-UHFFFAOYSA-N
Synonyms
353468-62-9
353468629
CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C
InChI=1SC23H28ClNO4Sc14122823(27)20178657919(17)3022(20)2521(26)15(3)2918111016(24)1314(18)2h10111315H4912H213H3(H2526)
MFCD01338535
propyl2((2(4chloro2methylphenoxy)propanoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
propyl2(2(4chloro2methylphenoxy)propanoylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ZINC000002081273
ZINC000002081274

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Available files

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