Vitas-M small molecule compound

4-{[(1H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}phenyl thiocyanate

Catalog ID
STK346166
SMILES N#CSc1ccc(cc1)NC(=O)CSc1n[nH]cn1

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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 C11H9N5OS2 MW 291.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H9N5OS2/c12-6-19-9-3-1-8(2-4-9)15-10(17)5-18-11-13-7-14-16-11/h1-4,7H,5H2,(H,15,17)(H,13,14,16)
InChIKey
QRVVXYOZDDVCAL-UHFFFAOYSA-N
Synonyms

(4((2(1H124triazol5ylsulfanyl)acetyl)amino)phenyl)thiocyanate
4(((1H124triazol3ylsulfanyl)acetyl)amino)phenylthiocyanate
C1=CC(=CC=C1NC(=O)CSC2=NC=NN2)SC#N
InChI=1SC11H9N5OS2c126199318(249)1510(17)51811137141611h147H5H2(H1517)(H131416)
MFCD09785942
N#CSc1ccc(cc1)NC(=O)CSc1n(nH)cn1
ZINC000012858136
ZINC12858136

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Available files

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