Vitas-M small molecule compound
4-({[4-ammonio-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Catalog ID
STL054214
SMILES [O-]C(=O)c1ccc(cc1)CSc1nnc(n1[NH3+])c1ccccn1
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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 C15H13N5O2S MW 327.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N5O2S/c16-20-13(12-3-1-2-8-17-12)18-19-15(20)23-9-10-4-6-11(7-5-10)14(21)22/h1-8H,9,16H2,(H,21,22)InChIKey
LREYXTNHEIXEFS-UHFFFAOYSA-NSynonyms
677013-30-8(O)C(=O)c1ccc(cc1)CSc1nnc(n1(NH3+))c1ccccn1
4(((4ammonio5(pyridin2yl)4H124triazol3yl)sulfanyl)methyl)benzoate
4((4AMINO5PYRIDIN2YL124TRIAZOL3YL)SULFANYLMETHYL)BENZOICACID
4((4AZANIUMYL5PYRIDIN2YL124TRIAZOL3YL)SULFANYLMETHYL)BENZOATE
677013308
C1=CC=NC(=C1)C2=NN=C(N2(NH3+))SCC3=CC=C(C=C3)C(=O)(O)
InChI=1SC15H13N5O2Sc162013(1231281712)181915(20)239104611(7510)14(21)22h18H916H2(H2122)
MFCD04011614
ZINC000000525875
ZINC525875
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