Vitas-M small molecule compound
2-chloro-4-({[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STK784173
SMILES CCc1nnc([nH]1)SCC(=O)Nc1ccc(c(c1)Cl)C(=O)O
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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 C13H13ClN4O3S MW 340.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13ClN4O3S/c1-2-10-16-13(18-17-10)22-6-11(19)15-7-3-4-8(12(20)21)9(14)5-7/h3-5H,2,6H2,1H3,(H,15,19)(H,20,21)(H,16,17,18)InChIKey
AJCULLLWARDXLA-UHFFFAOYSA-NSynonyms
878421-00-22chloro4((((5ethyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
2CHLORO4((2((5ETHYL1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
2chloro4(2((5ethyl4H124triazol3yl)thio)acetamido)benzoicacid
878421002
CCC1=NC(=NN1)SCC(=O)NC2=CC(=C(C=C2)C(=O)O)Cl
CCc1nnc((nH)1)SCC(=O)Nc1ccc(c(c1)Cl)C(=O)O
InChI=1SC13H13ClN4O3Sc12101613(181710)22611(19)157348(12(20)21)9(14)57h35H26H21H3(H1519)(H2021)(H161718)
MFCD06753202
ZINC000006821692
ZINC6821692
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