Vitas-M small molecule compound
4-({[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid
Catalog ID
STL200246
SMILES Cn1c(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 C16H14N4O2S MW 326.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O2S/c1-20-14(13-3-2-8-17-9-13)18-19-16(20)23-10-11-4-6-12(7-5-11)15(21)22/h2-9H,10H2,1H3,(H,21,22)InChIKey
CMICMDJDTSOWNT-UHFFFAOYSA-NSynonyms
4(((4methyl5(pyridin3yl)4H124triazol3yl)sulfanyl)methyl)benzoicacid
4((4METHYL5(3PYRIDYL)124TRIAZOL3YLTHIO)METHYL)BENZOICACID
4((4methyl5pyridin3yl124triazol3yl)sulfanylmethyl)benzoicacid
CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C3=CN=CC=C3
InChI=1SC16H14N4O2Sc12014(1332817913)181916(20)2310114612(7511)15(21)22h29H10H21H3(H2122)
MFCD06649770
ZINC000016755657
ZINC16755657
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