Vitas-M small molecule compound

ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-(4-ethylphenyl)-5-methylthiophene-3-carboxylate

Catalog ID
STK453544
SMILES CCOC(=O)c1c(sc(c1c1ccc(cc1)CC)C)NC(=O)c1ccc2c(c1)OCO2

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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 C24H23NO5S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23NO5S/c1-4-15-6-8-16(9-7-15)20-14(3)31-23(21(20)24(27)28-5-2)25-22(26)17-10-11-18-19(12-17)30-13-29-18/h6-12H,4-5,13H2,1-3H3,(H,25,26)
InChIKey
XKBILZWTINYIOG-UHFFFAOYSA-N
Synonyms

CCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C3=CC4=C(C=C3)OCO4)C
ETHYL2((13BENZODIOXOL5YLCARBONYL)AMINO)4(4ETHYLPHENYL)5METHYL3THIOPHENECARBOXYLATE
ethyl2((13benzodioxol5ylcarbonyl)amino)4(4ethylphenyl)5methylthiophene3carboxylate
ETHYL2(13BENZODIOXOLE5CARBONYLAMINO)4(4ETHYLPHENYL)5METHYLTHIOPHENE3CARBOXYLATE
ETHYL2(2HBENZO(34D)13DIOXOLAN5YLCARBONYLAMINO)4(4ETHYLPHENYL)5METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC24H23NO5Sc14156816(9715)2014(3)3123(21(20)24(27)2852)2522(26)1710111819(1217)30132918h612H4513H213H3(H2526)
MFCD02606201
ZINC000002089627
ZINC02089627
ZINC2089627

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Available files

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