Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STK581991
SMILES Cc1ccc(cc1)CSc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccccc1F
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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 C29H22FN3O5S2 MW 575.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22FN3O5S2/c1-16-6-8-17(9-7-16)15-39-29-32-31-28(40-29)33-24(19-4-2-3-5-20(19)30)23(26(35)27(33)36)25(34)18-10-11-21-22(14-18)38-13-12-37-21/h2-11,14,24,34H,12-13,15H2,1H3/b25-23+InChIKey
WISVYORFJZHGNZ-WJTDDFOZSA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(2fluorophenyl)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(2FLUOROPHENYL)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=CC=C6F
Cc1ccc(cc1)CSc1nnc(s1)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccccc1F
InChI=1SC29H22FN3O5S2c1166817(9716)153929323128(4029)3324(19423520(19)30)23(26(35)27(33)36)25(34)1810112122(1418)3813123721h211142434H121315H21H3b2523+
MFCD07204098
ZINC000102592387
ZINC000102592393
Check stock
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Check stock on Vitas-MAvailable files
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