Vitas-M small molecule compound

methyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK437179
SMILES S=C=Nc1sc2c(c1C(=O)OC)CCCC2

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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 C11H11NO2S2 MW 253.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11NO2S2/c1-14-11(13)9-7-4-2-3-5-8(7)16-10(9)12-6-15/h2-5H2,1H3
InChIKey
JKVSSDPOTCLFKE-UHFFFAOYSA-N
Synonyms
588694-54-6
588694546
COC(=O)C1=C(SC2=C1CCCC2)N=C=S
InChI=1SC11H11NO2S2c11411(13)9742358(7)1610(9)12615h25H21H3
methyl2isothiocyanato4567tetrahydro1benzothiophene3carboxylate
MFCD03944540
ZINC000002522243
ZINC02522243
ZINC2522243

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Available files

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