Vitas-M small molecule compound
(4E)-5-(3-butoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STK567798
SMILES CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)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 C34H33N3O5S2 MW 627.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N3O5S2/c1-4-5-15-41-26-8-6-7-23(18-26)29-28(30(38)24-13-14-27-25(17-24)16-21(3)42-27)31(39)32(40)37(29)33-35-36-34(44-33)43-19-22-11-9-20(2)10-12-22/h6-14,17-18,21,29,38H,4-5,15-16,19H2,1-3H3/b30-28+InChIKey
IABWBCMZBFEZJH-SJCQXOIGSA-NSynonyms
893697-35-3(4E)5(3butoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
(4E)5(3BUTOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
893697353
CCCCOC1=CC=CC(=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)C
CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC34H33N3O5S2c14515412686723(1826)2928(30(38)2413142725(1724)1621(3)4227)31(39)32(40)37(29)33353634(4433)43192211920(2)101222h6141718212938H45151619H213H3b3028+
MFCD05726747
ZINC000102549327
ZINC000102652442
Check stock
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Check stock on Vitas-MAvailable files
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