Vitas-M small molecule compound

ethyl 2-{[2-(4-chlorophenoxy)-2-methylpropanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK117595
SMILES CCOC(=O)c1c(sc2c1CCCC2)NC(=O)C(Oc1ccc(cc1)Cl)(C)C

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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/c1-4-26-19(24)17-15-7-5-6-8-16(15)28-18(17)23-20(25)21(2,3)27-14-11-9-13(22)10-12-14/h9-12H,4-8H2,1-3H3,(H,23,25)
InChIKey
RWRQTGPIMFIWAK-UHFFFAOYSA-N
Synonyms
599153-24-9
599153249
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Cl
ethyl2((2(4chlorophenoxy)2methylpropanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H24ClNO4Sc142619(24)1715756816(15)2818(17)2320(25)21(23)271411913(22)101214h912H48H213H3(H2325)
MFCD03637367
ZINC000002822013
ZINC02822013
ZINC2822013

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Available files

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