Vitas-M small molecule compound
4-{[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid
Catalog ID
STK212183
SMILES OC(=O)c1ccc(cc1)CSc1ncn(n1)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)13-8-6-12(7-9-13)10-22-16-17-11-19(18-16)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,20,21)InChIKey
RWTOSAHOYJUGSF-UHFFFAOYSA-NSynonyms
4(((1PHENYL1H124TRIAZOL3YL)SULFANYL)METHYL)BENZOICACID
4((1PHENYL124TRIAZOL3YL)SULFANYLMETHYL)BENZOICACID
C1=CC=C(C=C1)N2C=NC(=N2)SCC3=CC=C(C=C3)C(=O)O
InChI=1SC16H13N3O2Sc2015(21)138612(7913)102216171119(1816)144213514h1911H10H2(H2021)
MFCD04339820
ZINC000004777922
ZINC4777922
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