Vitas-M small molecule compound
4-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid
Catalog ID
STL384130
SMILES OC(=O)c1ccc(cc1)CSc1nnc([nH]1)c1ccccc1
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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 C16H13N3O2S MW 311.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O2S/c20-15(21)13-8-6-11(7-9-13)10-22-16-17-14(18-19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21)(H,17,18,19)InChIKey
XWJIHPRVLYIGQY-UHFFFAOYSA-NSynonyms
4(((5phenyl4H124triazol3yl)sulfanyl)methyl)benzoicacid
4((5PHENYL1H124TRIAZOL3YL)SULFANYLMETHYL)BENZOICACID
C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)O
InChI=1SC16H13N3O2Sc2015(21)138611(7913)1022161714(181916)124213512h19H10H2(H2021)(H171819)
MFCD04091399
OC(=O)c1ccc(cc1)CSc1nnc((nH)1)c1ccccc1
ZINC000006557690
ZINC6557690
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