Vitas-M small molecule compound
(4E)-5-(4-butoxy-3-ethoxyphenyl)-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
STK597501
SMILES CCCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/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 C35H33Cl2N3O6S2 MW 726.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H33Cl2N3O6S2/c1-4-6-13-45-27-12-8-20(16-28(27)44-5-2)30-29(31(41)21-9-11-26-23(15-21)14-19(3)46-26)32(42)33(43)40(30)34-38-39-35(48-34)47-18-22-7-10-24(36)17-25(22)37/h7-12,15-17,19,30,41H,4-6,13-14,18H2,1-3H3/b31-29+InChIKey
WGGTVAGDGFMINY-OWWNRXNESA-NSynonyms
897835-69-7(4E)5(4butoxy3ethoxyphenyl)1(5((24dichlorobenzyl)sulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)5(4butoxy3ethoxyphenyl)1(5((24dichlorophenyl)methylsulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
897835697
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=C(C=C(C=C6)Cl)Cl)OCC
CCCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC35H33Cl2N3O6S2c14613452712820(1628(27)4452)3029(31(41)219112623(1521)1419(3)4626)32(42)33(43)40(30)34383935(4834)47182271024(36)1725(22)37h7121517193041H46131418H213H3b3129+
MFCD07205145
ZINC000150486357
ZINC000150486369
Check stock
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Check stock on Vitas-MAvailable files
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