Vitas-M small molecule compound
(4E)-5-[4-(benzyloxy)-3-ethoxyphenyl]-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK592301
SMILES CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccc(cc1)Cl
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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 C37H30ClN3O7S2 MW 728.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H30ClN3O7S2/c1-2-45-29-18-24(10-14-28(29)48-20-22-6-4-3-5-7-22)32-31(33(42)25-11-15-27-30(19-25)47-17-16-46-27)34(43)35(44)41(32)36-39-40-37(50-36)49-21-23-8-12-26(38)13-9-23/h3-15,18-19,32,42H,2,16-17,20-21H2,1H3/b33-31+InChIKey
JMKZGBZYOJWNMA-QOSDPKFLSA-NSynonyms
620577-57-3(4E)1(5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)3ethoxyphenyl)1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)pyrrolidine23dione
620577573
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)Cl)OCC7=CC=CC=C7
CCOc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)SCc1ccc(cc1)Cl
InChI=1SC37H30ClN3O7S2c1245291824(101428(29)4820226435722)3231(33(42)2511152730(1925)4717164627)34(43)35(44)41(32)36394037(5036)49212381226(38)13923h31518193242H216172021H21H3b3331+
MFCD07205517
ZINC000150435780
ZINC000150435784
Check stock
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Check stock on Vitas-MAvailable files
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