Vitas-M small molecule compound

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

Catalog ID
STK088151
SMILES CCOc1cccc(c1)C(=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 C20H23NO4S MW 373.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO4S/c1-3-24-14-9-7-8-13(12-14)18(22)21-19-17(20(23)25-4-2)15-10-5-6-11-16(15)26-19/h7-9,12H,3-6,10-11H2,1-2H3,(H,21,22)
InChIKey
NXICZQUMQZJCLS-UHFFFAOYSA-N
Synonyms

CCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC
CCOc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2
ethyl2(((3ethoxyphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((3ethoxybenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H23NO4Sc13241497813(1214)18(22)211917(20(23)2542)1510561116(15)2619h7912H361011H212H3(H2122)
MFCD01063810
STK088151
ZINC000000828038
ZINC00828038
ZINC828038

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Available files

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