Vitas-M small molecule compound
(4E)-1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-[3-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK585268
SMILES CC(CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O)C
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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 C34H31Cl2N3O5S2 MW 696.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31Cl2N3O5S2/c1-18(2)11-12-43-25-6-4-5-20(15-25)29-28(30(40)21-8-10-27-23(14-21)13-19(3)44-27)31(41)32(42)39(29)33-37-38-34(46-33)45-17-22-7-9-24(35)16-26(22)36/h4-10,14-16,18-19,29,40H,11-13,17H2,1-3H3/b30-28+InChIKey
HSXAVPDVGAGPRN-SJCQXOIGSA-NSynonyms
897835-62-0(4E)1(5((24dichlorobenzyl)sulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3(3methylbutoxy)phenyl)pyrrolidine23dione
(4E)1(5((24dichlorophenyl)methylsulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3(3methylbutoxy)phenyl)pyrrolidine23dione
897835620
CC(CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O)C
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=C(C=C(C=C5)Cl)Cl)C6=CC(=CC=C6)OCCC(C)C)O
InChI=1SC34H31Cl2N3O5S2c118(2)1112432564520(1525)2928(30(40)218102723(1421)1319(3)4427)31(41)32(42)39(29)33373834(4633)4517227924(35)1626(22)36h410141618192940H111317H213H3b3028+
MFCD07202899
ZINC000150476318
ZINC000150476326
Check stock
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Check stock on Vitas-MAvailable files
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