Vitas-M small molecule compound

ethyl 5-phenyl-2-[(4H-1,2,4-triazol-4-ylcarbamothioyl)amino]thiophene-3-carboxylate

Catalog ID
STK456469
SMILES CCOC(=O)c1cc(sc1NC(=S)Nn1cnnc1)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 C16H15N5O2S2 MW 373.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N5O2S2/c1-2-23-15(22)12-8-13(11-6-4-3-5-7-11)25-14(12)19-16(24)20-21-9-17-18-10-21/h3-10H,2H2,1H3,(H2,19,20,24)
InChIKey
FYNZKYPLJHPCSH-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NN3C=NN=C3
ethyl5phenyl2((4H124triazol4ylcarbamothioyl)amino)thiophene3carboxylate
ETHYL5PHENYL2((THIOXO(124TRIAZOL4YLAMINO)METHYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5PHENYL2(124TRIAZOL4YLCARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC16H15N5O2S2c122315(22)12813(116435711)2514(12)1916(24)2021917181021h310H2H21H3(H2192024)
MFCD05990877
ZINC000002857023
ZINC02857023
ZINC2857023

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Available files

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