Vitas-M small molecule compound
(4E)-5-(3,4-diethoxyphenyl)-1-{5-[(2-fluorobenzyl)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
STL052102
SMILES CCOc1cc(ccc1OCC)C1N(c2nnc(s2)SCc2ccccc2F)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 C33H30FN3O6S2 MW 647.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30FN3O6S2/c1-4-41-25-13-10-19(16-26(25)42-5-2)28-27(29(38)20-11-12-24-22(15-20)14-18(3)43-24)30(39)31(40)37(28)32-35-36-33(45-32)44-17-21-8-6-7-9-23(21)34/h6-13,15-16,18,28,38H,4-5,14,17H2,1-3H3/b29-27+InChIKey
JCTKKPYJMAPTQD-ORIPQNMZSA-NSynonyms
(4E)5(34diethoxyphenyl)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)5(34DIETHOXYPHENYL)1(5((2FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
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=C6F)OCC
CCOc1cc(ccc1OCC)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC33H30FN3O6S2c144125131019(1626(25)4252)2827(29(38)2011122422(1520)1418(3)4324)30(39)31(40)37(28)32353633(4532)441721867923(21)34h6131516182838H451417H213H3b2927+
MFCD05728977
ZINC000150418394
ZINC000150418412
Check stock
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Check stock on Vitas-MAvailable files
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