Vitas-M small molecule compound

methyl 5-benzyl-2-isothiocyanatothiophene-3-carboxylate

Catalog ID
STK502583
SMILES S=C=Nc1sc(cc1C(=O)OC)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 C14H11NO2S2 MW 289.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11NO2S2/c1-17-14(16)12-8-11(19-13(12)15-9-18)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKey
UPUGJYHYPFQXMG-UHFFFAOYSA-N
Synonyms
861452-15-5
861452155
COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)N=C=S
InChI=1SC14H11NO2S2c11714(16)12811(1913(12)15918)7105324610h268H7H21H3
METHYL2ISOTHIOCYANATO5BENZYLTHIOPHENE3CARBOXYLATE
methyl5benzyl2isothiocyanatothiophene3carboxylate
MFCD04969628
ZINC000002537453
ZINC02537453
ZINC2537453

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Available files

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