Vitas-M small molecule compound

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

Catalog ID
STK421701
SMILES CCOC(=O)c1c(NC(=O)C(Oc2ccc(cc2C)Cl)C)sc2c1CCC(C2)CC

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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/c1-5-15-7-9-17-19(12-15)30-22(20(17)23(27)28-6-2)25-21(26)14(4)29-18-10-8-16(24)11-13(18)3/h8,10-11,14-15H,5-7,9,12H2,1-4H3,(H,25,26)
InChIKey
PXWPNGOTZNAHAV-UHFFFAOYSA-N
Synonyms
352679-13-1
352679131
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C
ethyl2((2(4chloro2methylphenoxy)propanoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(2(4chloro2methylphenoxy)propanoylamino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H28ClNO4Sc1515791719(1215)3022(20(17)23(27)2862)2521(26)14(4)291810816(24)1113(18)3h810111415H57912H214H3(H2526)
MFCD01344477
ZINC000002081909
ZINC000002081912

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Available files

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