Vitas-M small molecule compound
(5Z)-5-(3-butoxybenzylidene)-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904976
SMILES CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1cccc(c1)OCCCC)/s2
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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 C25H27N3O3S MW 449.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3S/c1-3-5-14-30-20-12-10-19(11-13-20)23-26-25-28(27-23)24(29)22(32-25)17-18-8-7-9-21(16-18)31-15-6-4-2/h7-13,16-17H,3-6,14-15H2,1-2H3/b22-17-InChIKey
ZQGAKFWTKJQHJJ-XLNRJJMWSA-NSynonyms
(5Z)2(4butoxyphenyl)5((3butoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)5(3butoxybenzylidene)2(4butoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=CC=C4)OCCCC)SC3=N2
CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1cccc(c1)OCCCC)s2
InChI=1SC25H27N3O3Sc135143020121019(111320)23262528(2723)24(29)22(3225)171887921(1618)3115642h7131617H361415H212H3b2217
MFCD18076193
ZINC000027022612
ZINC27022612
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