Vitas-M small molecule compound
(5E)-5-(4-butoxybenzylidene)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817021
SMILES CCCCOc1ccc(cc1)/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 C23H21N3O4S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4S/c1-2-3-12-28-16-10-8-15(9-11-16)13-20-22(27)26-23(31-20)24-21(25-26)19-14-29-17-6-4-5-7-18(17)30-19/h4-11,13,19H,2-3,12,14H2,1H3/b20-13+InChIKey
ZMXXEXNTXDIZRE-DEDYPNTBSA-NSynonyms
(5E)5((4BUTOXYPHENYL)METHYLIDENE)2(23DIHYDRO14BENZODIOXIN3YL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(4butoxybenzylidene)2(23dihydro14benzodioxin2yl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2
CCCCOc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
InChI=1SC23H21N3O4Sc12312281610815(91116)132022(27)2623(3120)2421(2526)19142917645718(17)3019h4111319H231214H21H3b2013+
MFCD04446217
ZINC000002701852
ZINC000002701854
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