Vitas-M small molecule compound
2-chloro-5-(3-cyclopropyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)benzoic acid
Catalog ID
STK788184
SMILES Sc1nnc(n1c1ccc(c(c1)C(=O)O)Cl)C1CC1
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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 C12H10ClN3O2S MW 295.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10ClN3O2S/c13-9-4-3-7(5-8(9)11(17)18)16-10(6-1-2-6)14-15-12(16)19/h3-6H,1-2H2,(H,15,19)(H,17,18)InChIKey
IAKNVAOHAJMEPF-UHFFFAOYSA-NSynonyms
1040696-85-22chloro5(3cyclopropyl5mercapto4H124triazol4yl)benzoicacid
2CHLORO5(3CYCLOPROPYL5SULFANYL4H124TRIAZOL4YL)BENZOICACID
2chloro5(3cyclopropyl5sulfanylidene1H124triazol4yl)benzoicacid
2CHLORO5(3CYCLOPROPYL5THIOXO15DIHYDRO4H124TRIAZOL4YL)BENZOICACID
C1CC1C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)O
InChI=1SC12H10ClN3O2Sc139437(58(9)11(17)18)1610(6126)141512(16)19h36H12H2(H1519)(H1718)
MFCD12035198
ZINC20719641
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