Vitas-M small molecule compound

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

Catalog ID
STK927320
SMILES OC(=O)CSc1nnc([nH]1)c1ccncc1

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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 C9H8N4O2S MW 236.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H8N4O2S/c14-7(15)5-16-9-11-8(12-13-9)6-1-3-10-4-2-6/h1-4H,5H2,(H,14,15)(H,11,12,13)
InChIKey
GBXQYKGZCGJCIL-UHFFFAOYSA-N
Synonyms
6612-18-6
((5(pyridin4yl)4H124triazol3yl)sulfanyl)aceticacid
((5PYRIDIN4YL4H124TRIAZOL3YL)THIO)ACETICACID
(5PYRIDIN4YL4H(124)TRIAZOL3YLSULFANYL)
(5PYRIDIN4YL4H(124)TRIAZOL3YLSULFANYL)ACETICACID
2((5(4PYRIDYL)4H124TRIAZOL3YL)SULFANYL)ACETICACID
2((5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)ACETICACID
2((5PYRIDIN4YL1H124TRIAZOL3YL)SULFANYL)ACETICACID
2(5(4PYRIDYL)4H124TRIAZOL3YLTHIO)ACETICACID
6612186
7HDIBENZO(BH)XANTHEN7OL7(4METHOXYPHENYL)
ACETICACID((5(4PYRIDINYL)4H124TRIAZOL3YL)THIO)
C1=CN=CC=C1C2=NC(=NN2)SCC(=O)O
InChI=1SC9H8N4O2Sc147(15)5169118(12139)61310426h14H5H2(H1415)(H111213)
MFCD02366349
OC(=O)CSc1nnc((nH)1)c1ccncc1
ZINC000000285781
ZINC285781

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Available files

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