Vitas-M small molecule compound
ethyl {[5-(5-chloro-2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Catalog ID
STL417745
SMILES CCOC(=O)CSc1nnc([nH]1)c1cc(Cl)ccc1OC
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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 C13H14ClN3O3S MW 327.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14ClN3O3S/c1-3-20-11(18)7-21-13-15-12(16-17-13)9-6-8(14)4-5-10(9)19-2/h4-6H,3,7H2,1-2H3,(H,15,16,17)InChIKey
MBYKKOUTQFQQIH-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC
CCOC(=O)CSc1nnc((nH)1)c1cc(Cl)ccc1OC
ethyl((5(5chloro2methoxyphenyl)4H124triazol3yl)sulfanyl)acetate
ETHYL2((5(5CHLORO2METHOXYPHENYL)1H124TRIAZOL3YL)SULFANYL)ACETATE
InChI=1SC13H14ClN3O3Sc132011(18)721131512(161713)968(14)4510(9)192h46H37H212H3(H151617)
MFCD07189071
ZINC000006547274
ZINC6547274
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