Vitas-M small molecule compound
(5E)-5-(4-butoxy-3-methoxybenzylidene)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817015
SMILES CCCCOc1ccc(cc1OC)/C=c\1/sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
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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 C24H23N3O5S MW 465.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O5S/c1-3-4-11-30-17-10-9-15(12-19(17)29-2)13-21-23(28)27-24(33-21)25-22(26-27)20-14-31-16-7-5-6-8-18(16)32-20/h5-10,12-13,20H,3-4,11,14H2,1-2H3/b21-13+InChIKey
VMFQHUKLIPFKHP-FYJGNVAPSA-NSynonyms
(5E)5((4BUTOXY3METHOXYPHENYL)METHYLIDENE)2(23DIHYDRO14BENZODIOXIN3YL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(4butoxy3methoxybenzylidene)2(23dihydro14benzodioxin2yl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2)OC
CCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
InChI=1SC24H23N3O5Sc13411301710915(1219(17)292)132123(28)2724(3321)2522(2627)20143116756818(16)3220h510121320H341114H212H3b2113+
MFCD04446211
ZINC000016733863
ZINC000016733866
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