Vitas-M small molecule compound
ethyl {[5-(4-chlorophenyl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Catalog ID
STL379522
SMILES CCOC(=O)CSc1nnc(n1CC(C)C)c1ccc(cc1)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 C16H20ClN3O2S MW 353.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20ClN3O2S/c1-4-22-14(21)10-23-16-19-18-15(20(16)9-11(2)3)12-5-7-13(17)8-6-12/h5-8,11H,4,9-10H2,1-3H3InChIKey
QBSWGSSKAJNSFN-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NN=C(N1CC(C)C)C2=CC=C(C=C2)Cl
ethyl((5(4chlorophenyl)4(2methylpropyl)4H124triazol3yl)sulfanyl)acetate
ETHYL((5(4CHLOROPHENYL)4ISOBUTYL4H124TRIAZOL3YL)SULFANYL)ACETATE
ETHYL2((5(4CHLOROPHENYL)4(2METHYLPROPYL)124TRIAZOL3YL)SULFANYL)ACETATE
InChI=1SC16H20ClN3O2Sc142214(21)102316191815(20(16)911(2)3)125713(17)8612h5811H4910H213H3
MFCD03861979
ZINC000000663946
ZINC00663946
ZINC663946
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