Vitas-M small molecule compound
(4E)-5-(4-butoxy-3-ethoxyphenyl)-1-{5-[(4-chlorobenzyl)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
STK569102
SMILES CCCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)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 C35H34ClN3O6S2 MW 692.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34ClN3O6S2/c1-4-6-15-44-27-14-9-22(18-28(27)43-5-2)30-29(31(40)23-10-13-26-24(17-23)16-20(3)45-26)32(41)33(42)39(30)34-37-38-35(47-34)46-19-21-7-11-25(36)12-8-21/h7-14,17-18,20,30,40H,4-6,15-16,19H2,1-3H3/b31-29+InChIKey
PSQUSMYICFTOTI-OWWNRXNESA-NSynonyms
(4E)5(4butoxy3ethoxyphenyl)1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)5(4BUTOXY3ETHOXYPHENYL)1(5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
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=CC=C(C=C6)Cl)OCC
CCCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC35H34ClN3O6S2c14615442714922(1828(27)4352)3029(31(40)2310132624(1723)1620(3)4526)32(41)33(42)39(30)34373835(4734)46192171125(36)12821h7141718203040H46151619H213H3b3129+
MFCD05727592
ZINC000150460302
ZINC000150460311
Check stock
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Check stock on Vitas-MAvailable files
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