Vitas-M small molecule compound
(4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3-ethoxy-4-propoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK577882
SMILES CCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)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 C34H32ClN3O6S2 MW 678.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32ClN3O6S2/c1-4-14-43-26-13-8-21(17-27(26)42-5-2)29-28(30(39)22-9-12-25-23(16-22)15-19(3)44-25)31(40)32(41)38(29)33-36-37-34(46-33)45-18-20-6-10-24(35)11-7-20/h6-13,16-17,19,29,39H,4-5,14-15,18H2,1-3H3/b30-28+InChIKey
NKLITVLXWCXDHB-SJCQXOIGSA-NSynonyms
897835-88-0(4E)1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)5(3ethoxy4propoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)1(5((4chlorophenyl)methylsulfanyl)134thiadiazol2yl)5(3ethoxy4propoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
897835880
CCCOC1=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=C(C=C6)Cl)OCC
CCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC34H32ClN3O6S2c1414432613821(1727(26)4252)2928(30(39)229122523(1622)1519(3)4425)31(40)32(41)38(29)33363734(4633)45182061024(35)11720h6131617192939H45141518H213H3b3028+
MFCD07200488
ZINC000150471586
ZINC000150471592
Check stock
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Check stock on Vitas-MAvailable files
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