Vitas-M small molecule compound

ethyl 2-(acetylamino)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK374217
SMILES CCOC(=O)C1=C(NC(=O)C)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 C13H19NO3S MW 269.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H19NO3S/c1-3-17-13(16)11-9-6-4-5-7-10(9)18-12(11)14-8(2)15/h9-10H,3-7H2,1-2H3,(H,14,15)
InChIKey
HOSQDRNKEXSCMM-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2C1CCCC2)NC(=O)C
ethyl2(acetylamino)3a45677ahexahydro1benzothiophene3carboxylate
ethyl2acetamido3a45677ahexahydro1benzothiophene3carboxylate
InChI=1SC13H19NO3Sc131713(16)119645710(9)1812(11)148(2)15h910H37H212H3(H1415)
MFCD00849243
ZINC000004113392
ZINC000004113395

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Available files

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