Vitas-M small molecule compound

ethyl 2-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK371288
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCC(C2)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 C19H21NO4S MW 359.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO4S/c1-3-23-19(22)17-14-8-6-12(2)11-15(14)25-18(17)20-16(21)9-7-13-5-4-10-24-13/h4-5,7,9-10,12H,3,6,8,11H2,1-2H3,(H,20,21)/b9-7+
InChIKey
LCPXMWUJJAQMPF-VQHVLOKHSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C=CC3=CC=CO3
CCOC(=O)c1c(NC(=O)C=Cc2ccco2)sc2c1CCC(C2)C
ethyl2(((2E)3(furan2yl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)3(furan2yl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC19H21NO4Sc132319(22)17148612(2)1115(14)2518(17)2016(21)971354102413h45791012H36811H212H3(H2021)b97+
MFCD00376419
ZINC000000816662
ZINC000000816663

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Available files

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