Vitas-M small molecule compound

ethyl 2-(acetylamino)-6-formyl-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate

Catalog ID
STK280138
SMILES CCOC(=O)c1c(NC(=O)C)sc2c1CCC(=C2Sc1ccccc1)C=O

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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 C20H19NO4S2 MW 401.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO4S2/c1-3-25-20(24)16-15-10-9-13(11-22)17(26-14-7-5-4-6-8-14)18(15)27-19(16)21-12(2)23/h4-8,11H,3,9-10H2,1-2H3,(H,21,23)
InChIKey
VMNXPUCTWIHZCR-UHFFFAOYSA-N
Synonyms
137987-69-0
137987690
2ACETAMIDO6FORMYL7(PHENYLTHIO)45DIHYDRO1BENZOTHIOPHENE3CARBOXYLICACIDETHYLESTER
2ACETAMIDO6FORMYL7(PHENYLTHIO)45DIHYDROBENZOTHIOPHENE3CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(SC2=C1CCC(=C2SC3=CC=CC=C3)C=O)NC(=O)C
ethyl2(acetylamino)6formyl7(phenylsulfanyl)45dihydro1benzothiophene3carboxylate
ETHYL2(ACETYLAMINO)6FORMYL7(PHENYLTHIO)45DIHYDRO1BENZOTHIOPHENE3CARBOXYLATE
ETHYL2ACETAMIDO6FORMYL7PHENYLSULFANYL45DIHYDRO1BENZOTHIOPHENE3CARBOXYLATE
ETHYL2ACETAMIDO6METHANOYL7PHENYLSULFANYL45DIHYDRO1BENZOTHIOPHENE3CARBOXYLATE
InChI=1SC20H19NO4S2c132520(24)161510913(1122)17(26147546814)18(15)2719(16)2112(2)23h4811H3910H212H3(H2123)
MFCD00355597
ZINC000001225248
ZINC01225248
ZINC1225248

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Available files

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