Vitas-M small molecule compound
4-({[4-ammonio-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Catalog ID
STL056540
SMILES Clc1ccc(c(c1)Cl)c1nnc(n1[NH3+])SCc1ccc(cc1)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 C16H12Cl2N4O2S MW 395.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12Cl2N4O2S/c17-11-5-6-12(13(18)7-11)14-20-21-16(22(14)19)25-8-9-1-3-10(4-2-9)15(23)24/h1-7H,8,19H2,(H,23,24)InChIKey
HJIWCTBYTLLJFE-UHFFFAOYSA-NSynonyms
578002-25-24(((4ammonio5(24dichlorophenyl)4H124triazol3yl)sulfanyl)methyl)benzoate
4((4AMINO5(24DICHLOROPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)BENZOICACID
4((4AMINO5(24DICHLOROPHENYL)124TRIAZOL3YLTHIO)METHYL)BENZOICACID
4((4AZANIUMYL5(24DICHLOROPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)BENZOATE
578002252
C1=CC(=CC=C1CSC2=NN=C(N2(NH3+))C3=C(C=C(C=C3)Cl)Cl)C(=O)(O)
Clc1ccc(c(c1)Cl)c1nnc(n1(NH3+))SCc1ccc(cc1)C(=O)(O)
InChI=1SC16H12Cl2N4O2Sc17115612(13(18)711)14202116(22(14)19)25891310(429)15(23)24h17H819H2(H2324)
MFCD04023582
ZINC000005072094
ZINC5072094
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