Vitas-M small molecule compound
(5E)-2-(4-butoxyphenyl)-5-[4-(diethylamino)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK797592
SMILES CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C\c1ccc(cc1)N(CC)CC)/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 C25H28N4O2S MW 448.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O2S/c1-4-7-16-31-21-14-10-19(11-15-21)23-26-25-29(27-23)24(30)22(32-25)17-18-8-12-20(13-9-18)28(5-2)6-3/h8-15,17H,4-7,16H2,1-3H3/b22-17+InChIKey
SWKKUMHGKVWUBL-OQKWZONESA-NSynonyms
(5E)2(4BUTOXYPHENYL)5((4(DIETHYLAMINO)PHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)2(4butoxyphenyl)5(4(diethylamino)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)N(CC)CC)SC3=N2
CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1ccc(cc1)N(CC)CC)s2
InChI=1SC25H28N4O2Sc147163121141019(111521)23262529(2723)24(30)22(3225)171881220(13918)28(52)63h81517H4716H213H3b2217+
MFCD03226119
ZINC000016699827
ZINC16699827
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