Vitas-M small molecule compound

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

Catalog ID
STL222312
SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1sc2c(c1C(=O)OCC)CCCC2

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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 C19H23NO5S2 MW 409.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23NO5S2/c1-3-24-13-9-11-14(12-10-13)27(22,23)20-18-17(19(21)25-4-2)15-7-5-6-8-16(15)26-18/h9-12,20H,3-8H2,1-2H3
InChIKey
CUCXXQNXYKFKNL-UHFFFAOYSA-N
Synonyms

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC
ethyl2(((4ethoxyphenyl)sulfonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((4ethoxyphenyl)sulfonylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC19H23NO5S2c13241391114(121013)27(2223)201817(19(21)2542)15756816(15)2618h91220H38H212H3
MFCD04091487
ZINC000000639724
ZINC00639724
ZINC639724

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Available files

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