Vitas-M small molecule compound
2-chloro-5-{[({5-[(2,4-dichlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoic acid
Catalog ID
STK328974
SMILES O=C(Nc1ccc(c(c1)C(=O)O)Cl)CSc1nnc(s1)COc1ccc(cc1Cl)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 C18H12Cl3N3O4S2 MW 504.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12Cl3N3O4S2/c19-9-1-4-14(13(21)5-9)28-7-16-23-24-18(30-16)29-8-15(25)22-10-2-3-12(20)11(6-10)17(26)27/h1-6H,7-8H2,(H,22,25)(H,26,27)InChIKey
LDKQHOQYTOAWNF-UHFFFAOYSA-NSynonyms
898057-14-22chloro5((((5((24dichlorophenoxy)methyl)134thiadiazol2yl)sulfanyl)acetyl)amino)benzoicacid
2CHLORO5((2((5((24DICHLOROPHENOXY)METHYL)134THIADIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOICACID
898057142
C1=CC(=C(C=C1NC(=O)CSC2=NN=C(S2)COC3=C(C=C(C=C3)Cl)Cl)C(=O)O)Cl
InChI=1SC18H12Cl3N3O4S2c1991414(13(21)59)28716232418(3016)29815(25)22102312(20)11(610)17(26)27h16H78H2(H2225)(H2627)
MFCD06735597
ZINC000015021575
ZINC15021575
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