Vitas-M small molecule compound
(5Z)-5-(2-ethoxybenzylidene)-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK818333
SMILES CCCCCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1ccccc1OCC)/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/c1-3-5-6-9-16-31-20-14-12-18(13-15-20)23-26-25-28(27-23)24(29)22(32-25)17-19-10-7-8-11-21(19)30-4-2/h7-8,10-15,17H,3-6,9,16H2,1-2H3/b22-17-InChIKey
XKXVQXLDPNHAPZ-XLNRJJMWSA-NSynonyms
(5Z)5((2ETHOXYPHENYL)METHYLIDENE)2(4HEXOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(2ethoxybenzylidene)2(4(hexyloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=CC=C4OCC)SC3=N2
CCCCCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1ccccc1OCC)s2
InChI=1SC25H27N3O3Sc13569163120141218(131520)23262528(2723)24(29)22(3225)171910781121(19)3042h78101517H36916H212H3b2217
MFCD06308862
ZINC000003649128
ZINC03649128
ZINC3649128
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