Vitas-M small molecule compound

methyl 2-isothiocyanato-5-phenylthiophene-3-carboxylate

Catalog ID
STK438586
SMILES S=C=Nc1sc(cc1C(=O)OC)c1ccccc1

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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 C13H9NO2S2 MW 275.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9NO2S2/c1-16-13(15)10-7-11(18-12(10)14-8-17)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
JBSDRHIJAFAUQI-UHFFFAOYSA-N
Synonyms
588715-55-3
588715553
COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)N=C=S
InChI=1SC13H9NO2S2c11613(15)10711(1812(10)14817)9532469h27H1H3
methyl2isothiocyanato5phenylthiophene3carboxylate
MFCD03945365
ZINC000002522257
ZINC02522257
ZINC2522257

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Available files

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