Vitas-M small molecule compound

ethyl 5-benzyl-2-isothiocyanatothiophene-3-carboxylate

Catalog ID
STK502584
SMILES CCOC(=O)c1cc(sc1N=C=S)Cc1ccccc1

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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 C15H13NO2S2 MW 303.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13NO2S2/c1-2-18-15(17)13-9-12(20-14(13)16-10-19)8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3
InChIKey
QNVDXULLEWHQCI-UHFFFAOYSA-N
Synonyms
861239-51-2
861239512
CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)N=C=S
ethyl5benzyl2isothiocyanatothiophene3carboxylate
InChI=1SC15H13NO2S2c121815(17)13912(2014(13)161019)8116435711h379H28H21H3
MFCD04969629
ZINC000002537454
ZINC02537454
ZINC2537454

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Available files

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