Vitas-M small molecule compound
2-chloro-5-[({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL376715
SMILES COc1ccc(cc1)c1nnc([nH]1)SCC(=O)Nc1ccc(c(c1)C(=O)O)Cl
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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 C18H15ClN4O4S MW 418.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN4O4S/c1-27-12-5-2-10(3-6-12)16-21-18(23-22-16)28-9-15(24)20-11-4-7-14(19)13(8-11)17(25)26/h2-8H,9H2,1H3,(H,20,24)(H,25,26)(H,21,22,23)InChIKey
DTFFNMSYJOCGHA-UHFFFAOYSA-NSynonyms
2chloro5((((5(4methoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
2chloro5((2((5(4methoxyphenyl)1H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O
COc1ccc(cc1)c1nnc((nH)1)SCC(=O)Nc1ccc(c(c1)C(=O)O)Cl
InChI=1SC18H15ClN4O4Sc127125210(3612)162118(232216)28915(24)20114714(19)13(811)17(25)26h28H9H21H3(H2024)(H2526)(H212223)
MFCD08087810
ZINC000009236644
ZINC9236644
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