Vitas-M small molecule compound
ethyl 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate
Catalog ID
STK734095
SMILES CCOC(=O)C(C(=O)C)Sc1nnc(n1c1ccccc1)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 C20H18ClN3O3S MW 415.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O3S/c1-3-27-19(26)17(13(2)25)28-20-23-22-18(14-9-11-15(21)12-10-14)24(20)16-7-5-4-6-8-16/h4-12,17H,3H2,1-2H3InChIKey
QNXUOYUGFNCKGN-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C(=O)C)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl
ETHYL2((5(4CHLOROPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)3OXOBUTANOATE
ethyl2((5(4chlorophenyl)4phenyl4H124triazol3yl)sulfanyl)3oxobutanoate
InChI=1SC20H18ClN3O3Sc132719(26)17(13(2)25)2820232218(1491115(21)121014)24(20)167546816h41217H3H212H3
MFCD01870950
ZINC000001065447
ZINC000001065449
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