Vitas-M small molecule compound

[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid

Catalog ID
STK663689
SMILES OC(=O)CSc1nnc(n1c1ccccc1)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 C16H13N3O2S MW 311.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O2S/c20-14(21)11-22-16-18-17-15(12-7-3-1-4-8-12)19(16)13-9-5-2-6-10-13/h1-10H,11H2,(H,20,21)
InChIKey
AVUOMUDSGDOION-UHFFFAOYSA-N
Synonyms
54559-45-4
((45diphenyl4H124triazol3yl)sulfanyl)aceticacid
((45DIPHENYL4H124TRIAZOL3YL)THIO)ACETICACID
(45DIPHENYL4H(124)TRIAZOL3YLSULFANYL)AC
(45DIPHENYL4H(124)TRIAZOL3YLSULFANYL)ACETICACID
2((45DIPHENYL124TRIAZOL3YL)SULFANYL)ACETICACID
2((DIPHENYL4H124TRIAZOL3YL)SULFANYL)ACETICACID
2(45DIPHENYL124TRIAZOL3YLTHIO)ACETICACID
54559454
C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)O
InChI=1SC16H13N3O2Sc2014(21)112216181715(127314812)19(16)1395261013h110H11H2(H2021)
MFCD01571879
ZINC000000078329
ZINC78329

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Available files

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