Vitas-M small molecule compound
3-(4-methylphenyl)-3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]propanoic acid
Catalog ID
STK335786
SMILES OC(=O)CC(n1c(S)nnc1c1ccncc1)c1ccc(cc1)C
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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/c1-11-2-4-12(5-3-11)14(10-15(22)23)21-16(19-20-17(21)24)13-6-8-18-9-7-13/h2-9,14H,10H2,1H3,(H,20,24)(H,22,23)InChIKey
AZTPHVZOMDPAHG-UHFFFAOYSA-NSynonyms
(3R)3(4METHYLPHENYL)3(3(PYRIDIN4YL)5THIOXO15DIHYDRO4H124TRIAZOL4YL)PROPANOICACID
3(4methylphenyl)3(3(pyridin4yl)5sulfanyl4H124triazol4yl)propanoicacid
3(4METHYLPHENYL)3(3PYRIDIN4YL5SULFANYLIDENE1H124TRIAZOL4YL)PROPANOICACID
CC1=CC=C(C=C1)C(CC(=O)O)N2C(=NNC2=S)C3=CC=NC=C3
InChI=1SC17H16N4O2Sc1112412(5311)14(1015(22)23)2116(192017(21)24)1368189713h2914H10H21H3(H2024)(H2223)
MFCD05260317
ZINC000006009397
ZINC000006054028
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