Vitas-M small molecule compound

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

Catalog ID
STL200234
SMILES CCn1c(SCc2ccc(cc2)C(=O)O)nnc1c1cccnc1

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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 C17H16N4O2S MW 340.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O2S/c1-2-21-15(14-4-3-9-18-10-14)19-20-17(21)24-11-12-5-7-13(8-6-12)16(22)23/h3-10H,2,11H2,1H3,(H,22,23)
InChIKey
XJIIJXJUAQOZMI-UHFFFAOYSA-N
Synonyms

4(((4ethyl5(pyridin3yl)4H124triazol3yl)sulfanyl)methyl)benzoicacid
4((4ethyl5pyridin3yl124triazol3yl)sulfanylmethyl)benzoicacid
CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C3=CN=CC=C3
InChI=1SC17H16N4O2Sc122115(14439181014)192017(21)2411125713(8612)16(22)23h310H211H21H3(H2223)
MFCD06649692
ZINC000016755464
ZINC16755464

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Available files

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