Vitas-M small molecule compound
4-{[(4-ammonio-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate
Catalog ID
STL049839
SMILES [O-]C(=O)c1ccc(cc1)CSc1nnc(n1[NH3+])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 C16H14N4O2S MW 326.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O2S/c17-20-14(12-4-2-1-3-5-12)18-19-16(20)23-10-11-6-8-13(9-7-11)15(21)22/h1-9H,10,17H2,(H,21,22)InChIKey
UZWBULDSHPHXJG-UHFFFAOYSA-NSynonyms
579442-80-1(O)C(=O)c1ccc(cc1)CSc1nnc(n1(NH3+))c1ccccc1
4(((4ammonio5phenyl4H124triazol3yl)sulfanyl)methyl)benzoate
4((4AMINO5PHENYL124TRIAZOL3YL)SULFANYLMETHYL)BENZOICACID
4((4AMINO5PHENYL124TRIAZOL3YLTHIO)METHYL)BENZOICACID
4((4AZANIUMYL5PHENYL124TRIAZOL3YL)SULFANYLMETHYL)BENZOATE
579442801
C1=CC=C(C=C1)C2=NN=C(N2(NH3+))SCC3=CC=C(C=C3)C(=O)(O)
InChI=1SC16H14N4O2Sc172014(124213512)181916(20)2310116813(9711)15(21)22h19H1017H2(H2122)
MFCD04032749
ZINC000000533187
ZINC533187
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