Vitas-M small molecule compound

ethyl 2-({[4-(difluoromethoxy)-3-methoxyphenyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK302697
SMILES CCOC(=O)c1c(NC(=O)c2ccc(c(c2)OC)OC(F)F)sc2c1CCC(C2)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 C21H23F2NO5S MW 439.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23F2NO5S/c1-4-28-20(26)17-13-7-5-11(2)9-16(13)30-19(17)24-18(25)12-6-8-14(29-21(22)23)15(10-12)27-3/h6,8,10-11,21H,4-5,7,9H2,1-3H3,(H,24,25)
InChIKey
PTZWOBWNMGURDT-UHFFFAOYSA-N
Synonyms
723254-16-8
723254168
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC(=C(C=C3)OC(F)F)OC
ethyl2(((4(difluoromethoxy)3methoxyphenyl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((4(difluoromethoxy)3methoxybenzoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H23F2NO5Sc142820(26)17137511(2)916(13)3019(17)2418(25)126814(2921(22)23)15(1012)273h68101121H4579H213H3(H2425)
MFCD04048511
ZINC000000655806
ZINC000000655808

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Available files

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