Vitas-M small molecule compound
2-chloro-5-[3-(3-cyclopropyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
Catalog ID
STK785923
SMILES Sc1nnc(n1c1ccc(c(c1)C(=O)O)Cl)c1[nH]nc(c1)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 C15H12ClN5O2S MW 361.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12ClN5O2S/c16-10-4-3-8(5-9(10)14(22)23)21-13(19-20-15(21)24)12-6-11(17-18-12)7-1-2-7/h3-7H,1-2H2,(H,17,18)(H,20,24)(H,22,23)InChIKey
VLPFXAUACNACFD-UHFFFAOYSA-NSynonyms
1082541-61-42chloro5(3(3cyclopropyl1Hpyrazol5yl)5mercapto4H124triazol4yl)benzoicacid
2CHLORO5(3(3CYCLOPROPYL1HPYRAZOL5YL)5SULFANYL4H124TRIAZOL4YL)BENZOICACID
2CHLORO5(3(3CYCLOPROPYL1HPYRAZOL5YL)5THIOXO15DIHYDRO4H124TRIAZOL4YL)BENZOICACID
2CHLORO5(3(5CYCLOPROPYL1HPYRAZOL3YL)5SULFANYLIDENE1H124TRIAZOL4YL)BENZOICACID
C1CC1C2=CC(=NN2)C3=NNC(=S)N3C4=CC(=C(C=C4)Cl)C(=O)O
InChI=1SC15H12ClN5O2Sc1610438(59(10)14(22)23)2113(192015(21)24)12611(171812)7127h37H12H2(H1718)(H2024)(H2223)
MFCD07800942
Sc1nnc(n1c1ccc(c(c1)C(=O)O)Cl)c1(nH)nc(c1)C1CC1
ZINC6659229
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