Vitas-M small molecule compound
(4E)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STK568990
SMILES CCOc1cc(ccc1OCCC(C)C)C1N(c2nnc(s2)SCc2cccc3c2cccc3)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 C40H39N3O6S2 MW 721.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H39N3O6S2/c1-5-47-33-21-26(13-16-32(33)48-18-17-23(2)3)35-34(36(44)27-14-15-31-29(20-27)19-24(4)49-31)37(45)38(46)43(35)39-41-42-40(51-39)50-22-28-11-8-10-25-9-6-7-12-30(25)28/h6-16,20-21,23-24,35,44H,5,17-19,22H2,1-4H3/b36-34+InChIKey
DLLDVSBPYIPKPC-JMUUFCRMSA-NSynonyms
(4E)5(3ethoxy4(3methylbutoxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
(4E)5(3ETHOXY4(3METHYLBUTOXY)PHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(5(NAPHTHALEN1YLMETHYLSULFANYL)134THIADIAZOL2YL)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=CC7=CC=CC=C76)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC40H39N3O6S2c1547332126(131632(33)48181723(2)3)3534(36(44)2714153129(2027)1924(4)4931)37(45)38(46)43(35)39414240(5139)50222811810259671230(25)28h616202123243544H5171922H214H3b3634+
MFCD05732812
ZINC000150424931
ZINC000150424939
Check stock
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