Vitas-M small molecule compound

(4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione

Catalog ID
STL057158
SMILES COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2)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 C30H25N3O5S2 MW 571.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O5S2/c1-17-14-21-15-20(10-13-23(21)38-17)26(34)24-25(19-8-11-22(37-2)12-9-19)33(28(36)27(24)35)29-31-32-30(40-29)39-16-18-6-4-3-5-7-18/h3-13,15,17,25,34H,14,16H2,1-2H3/b26-24+
InChIKey
ZHSFQIIDEAFQJI-SHHOIMCASA-N
Synonyms
893697-79-5
(4E)1(5(benzylsulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(4methoxyphenyl)pyrrolidine23dione
(4E)1(5BENZYLSULFANYL134THIADIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(4METHOXYPHENYL)PYRROLIDINE23DIONE
893697795
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC=C5)C6=CC=C(C=C6)OC)O
COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC30H25N3O5S2c11714211520(101323(21)3817)26(34)2425(1981122(372)12919)33(28(36)27(24)35)29313230(4029)3916186435718h31315172534H1416H212H3b2624+
MFCD05730194
ZINC000102897062
ZINC000102897066

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Available files

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