Vitas-M small molecule compound
(4E)-5-[4-(benzyloxy)-3-ethoxyphenyl]-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
STL052458
SMILES CCOc1cc(ccc1OCc1ccccc1)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 C38H32FN3O6S2 MW 709.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H32FN3O6S2/c1-3-46-31-19-24(13-16-30(31)47-20-23-9-5-4-6-10-23)33-32(34(43)25-14-15-29-27(18-25)17-22(2)48-29)35(44)36(45)42(33)37-40-41-38(50-37)49-21-26-11-7-8-12-28(26)39/h4-16,18-19,22,33,43H,3,17,20-21H2,1-2H3/b34-32+InChIKey
IXWKXDUJSMOLAL-NWBJSICCSA-NSynonyms
(4E)5(3ETHOXY4PHENYLMETHOXYPHENYL)1(5((2FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)3ethoxyphenyl)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6F)OCC7=CC=CC=C7
CCOc1cc(ccc1OCc1ccccc1)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC38H32FN3O6S2c1346311924(131630(31)47202395461023)3332(34(43)2514152927(1825)1722(2)4829)35(44)36(45)42(33)37404138(5037)49212611781228(26)39h4161819223343H3172021H212H3b3432+
MFCD05736495
ZINC000150440064
ZINC000150440075
Check stock
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