Vitas-M small molecule compound
(4E)-5-(3-butoxyphenyl)-1-{5-[(2-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
STL054941
SMILES CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2Cl)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 C33H30ClN3O5S2 MW 648.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30ClN3O5S2/c1-3-4-14-41-24-10-7-9-20(17-24)28-27(29(38)21-12-13-26-23(16-21)15-19(2)42-26)30(39)31(40)37(28)32-35-36-33(44-32)43-18-22-8-5-6-11-25(22)34/h5-13,16-17,19,28,38H,3-4,14-15,18H2,1-2H3/b29-27+InChIKey
HZMUETVAUGBJME-ORIPQNMZSA-NSynonyms
(4E)5(3butoxyphenyl)1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)5(3BUTOXYPHENYL)1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
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=CC=C6Cl
CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC33H30ClN3O5S2c134144124107920(1724)2827(29(38)2112132623(1621)1519(2)4226)30(39)31(40)37(28)32353633(4432)4318228561125(22)34h5131617192838H34141518H212H3b2927+
MFCD05728336
ZINC000150463696
ZINC000150463707
Check stock
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Check stock on Vitas-MAvailable files
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