Vitas-M small molecule compound

ethyl 5-acetyl-2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]-4-methylthiophene-3-carboxylate

Catalog ID
STL331217
SMILES CCOC(=O)c1c(NC(=O)C2COc3c(O2)cccc3)sc(c1C)C(=O)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 C19H19NO6S MW 389.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO6S/c1-4-24-19(23)15-10(2)16(11(3)21)27-18(15)20-17(22)14-9-25-12-7-5-6-8-13(12)26-14/h5-8,14H,4,9H2,1-3H3,(H,20,22)
InChIKey
JOOHKPBHRNLVRR-UHFFFAOYSA-N
Synonyms
301304-94-9
301304949
5ACETYL2((23DIHYDROBENZO(14)DIOXINE2CARBONYL)AMINO)4METHYLTHIOPHENE3CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2COC3=CC=CC=C3O2
ETHYL5ACETYL2((23DIHYDRO14BENZODIOXIN2YLCARBONYL)AMINO)4METHYL3THIOPHENECARBOXYLATE
ethyl5acetyl2((23dihydro14benzodioxin2ylcarbonyl)amino)4methylthiophene3carboxylate
ETHYL5ACETYL2(23DIHYDRO14BENZODIOXINE3CARBONYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
ethyl5acetyl2(23dihydrobenzo(b)(14)dioxine2carboxamido)4methylthiophene3carboxylate
ETHYL5ACETYL2(2H3HBENZO(E)14DIOXAN2YLCARBONYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC19H19NO6Sc142419(23)1510(2)16(11(3)21)2718(15)2017(22)1492512756813(12)2614h5814H49H213H3(H2022)
MFCD01070935
ZINC000000728717
ZINC000000728718

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Available files

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