Vitas-M small molecule compound

(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-methoxyphenyl)-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione

Catalog ID
STK585939
SMILES COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/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 C30H25N3O6S2 MW 587.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O6S2/c1-17-3-5-18(6-4-17)16-40-30-32-31-29(41-30)33-25(19-7-10-21(37-2)11-8-19)24(27(35)28(33)36)26(34)20-9-12-22-23(15-20)39-14-13-38-22/h3-12,15,25,34H,13-14,16H2,1-2H3/b26-24+
InChIKey
ZDHNJQJDHCTYJO-SHHOIMCASA-N
Synonyms

(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4methoxyphenyl)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4METHOXYPHENYL)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC=C(C=C6)OC
COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC30H25N3O6S2c1173518(6417)164030323129(4130)3325(1971021(372)11819)24(27(35)28(33)36)26(34)209122223(1520)3914133822h312152534H131416H212H3b2624+
MFCD07209318
ZINC000102599017
ZINC000102599023

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Available files

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