Vitas-M small molecule compound
(4E)-5-[4-(benzyloxy)-3-methoxyphenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK582208
SMILES COc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)C
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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 C30H25N3O7S MW 571.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O7S/c1-17-31-32-30(41-17)33-26(19-8-10-21(23(14-19)37-2)40-16-18-6-4-3-5-7-18)25(28(35)29(33)36)27(34)20-9-11-22-24(15-20)39-13-12-38-22/h3-11,14-15,26,34H,12-13,16H2,1-2H3/b27-25+InChIKey
NYIYQMFJOCCTDQ-IMVLJIQESA-NSynonyms
7037-57-2(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3METHOXY4PHENYLMETHOXYPHENYL)1(5METHYL134THIADIAZOL2YL)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)3methoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5methyl134thiadiazol2yl)pyrrolidine23dione
7037572
CC1=NN=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC
COc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)C
InChI=1SC30H25N3O7Sc117313230(4117)3326(1981021(23(1419)372)4016186435718)25(28(35)29(33)36)27(34)209112224(1520)3913123822h31114152634H121316H212H3b2725+
MFCD07202494
ZINC000102592846
ZINC000102592853
Check stock
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Check stock on Vitas-MAvailable files
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