Vitas-M small molecule compound
4-({[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid
Catalog ID
STL228714
SMILES Cn1c(SCc2ccc(cc2)C(=O)O)nnc1c1ccccn1
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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 C16H14N4O2S MW 326.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O2S/c1-20-14(13-4-2-3-9-17-13)18-19-16(20)23-10-11-5-7-12(8-6-11)15(21)22/h2-9H,10H2,1H3,(H,21,22)InChIKey
BYJZFGFTENITIP-UHFFFAOYSA-NSynonyms
4(((4methyl5(pyridin2yl)4H124triazol3yl)sulfanyl)methyl)benzoicacid
4((4METHYL5PYRIDIN2YL124TRIAZOL3YL)SULFANYLMETHYL)BENZOICACID
CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C3=CC=CC=N3
InChI=1SC16H14N4O2Sc12014(1342391713)181916(20)2310115712(8611)15(21)22h29H10H21H3(H2122)
MFCD04022216
ZINC000005982172
ZINC5982172
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