Vitas-M small molecule compound

2-{[(3,4,5-triethoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK360132
SMILES CCOc1c(OCC)cc(cc1OCC)C(=O)Nc1sc2c(c1C(=O)N)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 C22H28N2O5S MW 432.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O5S/c1-4-27-15-11-13(12-16(28-5-2)19(15)29-6-3)21(26)24-22-18(20(23)25)14-9-7-8-10-17(14)30-22/h11-12H,4-10H2,1-3H3,(H2,23,25)(H,24,26)
InChIKey
WRGFNRCVVJBCCC-UHFFFAOYSA-N
Synonyms

2(((345triethoxyphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxamide
2((345triethoxybenzoyl)amino)4567tetrahydro1benzothiophene3carboxamide
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N
InChI=1SC22H28N2O5Sc1427151113(1216(2852)19(15)2963)21(26)242218(20(23)25)149781017(14)3022h1112H410H213H3(H22325)(H2426)
MFCD02372940
ZINC000000680060
ZINC00680060
ZINC680060

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Available files

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