Vitas-M small molecule compound
(4E)-5-[3-(benzyloxy)phenyl]-1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK597891
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)c1nnc(s1)SCc1ccc(cc1Cl)Cl)/O
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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 C36H27Cl2N3O5S2 MW 716.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H27Cl2N3O5S2/c1-20-14-25-15-23(11-13-29(25)46-20)32(42)30-31(22-8-5-9-27(16-22)45-18-21-6-3-2-4-7-21)41(34(44)33(30)43)35-39-40-36(48-35)47-19-24-10-12-26(37)17-28(24)38/h2-13,15-17,20,31,42H,14,18-19H2,1H3/b32-30+InChIKey
OFJQFMSNVJIRTN-NHQGMKOOSA-NSynonyms
897835-74-4(4E)1(5((24dichlorophenyl)methylsulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3phenylmethoxyphenyl)pyrrolidine23dione
(4E)5(3(benzyloxy)phenyl)1(5((24dichlorobenzyl)sulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
897835744
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=C(C=C(C=C5)Cl)Cl)C6=CC(=CC=C6)OCC7=CC=CC=C7)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)c1nnc(s1)SCc1ccc(cc1Cl)Cl)O
InChI=1SC36H27Cl2N3O5S2c12014251523(111329(25)4620)32(42)3031(2285927(1622)4518216324721)41(34(44)33(30)43)35394036(4835)471924101226(37)1728(24)38h2131517203142H141819H21H3b3230+
MFCD07210919
ZINC000150486749
ZINC000150486759
Check stock
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Check stock on Vitas-MAvailable files
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