Vitas-M small molecule compound
(4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(3,4-diethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL049515
SMILES CCOc1cc(ccc1OCC)C1N(c2nnc(s2)SCc2ccccc2)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 C33H31N3O6S2 MW 629.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O6S2/c1-4-40-25-14-11-21(17-26(25)41-5-2)28-27(29(37)22-12-13-24-23(16-22)15-19(3)42-24)30(38)31(39)36(28)32-34-35-33(44-32)43-18-20-9-7-6-8-10-20/h6-14,16-17,19,28,37H,4-5,15,18H2,1-3H3/b29-27+InChIKey
MXSGMNPGGXBBAC-ORIPQNMZSA-NSynonyms
893698-23-2(4E)1(5(benzylsulfanyl)134thiadiazol2yl)5(34diethoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)1(5BENZYLSULFANYL134THIADIAZOL2YL)5(34DIETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
893698232
CCOC1=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=CC=C6)OCC
CCOc1cc(ccc1OCC)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC33H31N3O6S2c144025141121(1726(25)4152)2827(29(37)2212132423(1622)1519(3)4224)30(38)31(39)36(28)32343533(4432)43182097681020h6141617192837H451518H213H3b2927+
MFCD05738271
ZINC000102887356
ZINC000102887362
Check stock
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Check stock on Vitas-MAvailable files
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