Vitas-M small molecule compound
(4E)-1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK572171
SMILES CCOc1cc(ccc1OCCC(C)C)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/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 C35H33Cl2N3O7S2 MW 742.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H33Cl2N3O7S2/c1-4-44-27-15-20(6-9-25(27)45-12-11-19(2)3)30-29(31(41)21-7-10-26-28(16-21)47-14-13-46-26)32(42)33(43)40(30)34-38-39-35(49-34)48-18-22-5-8-23(36)17-24(22)37/h5-10,15-17,19,30,41H,4,11-14,18H2,1-3H3/b31-29+InChIKey
CTAWVJVNFGXURT-OWWNRXNESA-NSynonyms
618855-56-4(4E)1(5((24dichlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxy4(3methylbutoxy)phenyl)pyrrolidine23dione
(4E)1(5((24DICHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4(3METHYLBUTOXY)PHENYL)PYRROLIDINE23DIONE
618855564
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=C(C=C(C=C6)Cl)Cl)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC35H33Cl2N3O7S2c1444271520(6925(27)45121119(2)3)3029(31(41)217102628(1621)4714134626)32(42)33(43)40(30)34383935(4934)4818225823(36)1724(22)37h5101517193041H4111418H213H3b3129+
MFCD07201951
ZINC000150424785
ZINC000150424791
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