Vitas-M small molecule compound

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

Catalog ID
STK005118
SMILES CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCCC2

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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 C19H21NO3S MW 343.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO3S/c1-3-23-19(22)16-14-10-6-7-11-15(14)24-18(16)20-17(21)13-9-5-4-8-12(13)2/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,20,21)
InChIKey
UEHVHOOXJVUUQX-UHFFFAOYSA-N
Synonyms
294669-13-9
294669139
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3C
CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCCC2
ethyl2(((2methylphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2methylbenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2methylbenzamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC19H21NO3Sc132319(22)161410671115(14)2418(16)2017(21)13954812(13)2h4589H3671011H212H3(H2021)
MFCD00265011
STK005118
ZINC000000127331
ZINC00127331
ZINC127331

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Available files

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