Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STK591714
SMILES CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)F)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 C30H24FN3O6S2 MW 605.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24FN3O6S2/c1-2-38-21-5-3-4-18(14-21)25-24(26(35)19-8-11-22-23(15-19)40-13-12-39-22)27(36)28(37)34(25)29-32-33-30(42-29)41-16-17-6-9-20(31)10-7-17/h3-11,14-15,25,35H,2,12-13,16H2,1H3/b26-24+InChIKey
YJDFTQYKTFCXTP-SHHOIMCASA-NSynonyms
618855-23-5(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxyphenyl)1(5((4fluorobenzyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXYPHENYL)1(5((4FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
618855235
CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)F
CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)F)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC30H24FN3O6S2c12382153418(1421)2524(26(35)198112223(1519)4013123922)27(36)28(37)34(25)29323330(4229)4116176920(31)10717h31114152535H2121316H21H3b2624+
MFCD07199910
ZINC000102609256
ZINC000102609264
Check stock
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Check stock on Vitas-MAvailable files
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