Vitas-M small molecule compound
(5E)-5-[4-(methylsulfanyl)benzylidene]-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK814080
SMILES CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C/c1ccc(cc1)SC)/c2=O
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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 C21H19N3O2S2 MW 409.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O2S2/c1-3-12-26-16-8-6-15(7-9-16)19-22-21-24(23-19)20(25)18(28-21)13-14-4-10-17(27-2)11-5-14/h4-11,13H,3,12H2,1-2H3/b18-13+InChIKey
QSNSZIPLHDQEPT-QGOAFFKASA-NSynonyms
606962-14-5(5E)5((4METHYLSULFANYLPHENYL)METHYLIDENE)2(4PROPOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(4(methylsulfanyl)benzylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)5(4(methylthio)benzylidene)2(4propoxyphenyl)thiazolo(32b)(124)triazol6(5H)one
5(4(METHYLTHIO)BENZYLIDENE)2(4PROPOXYPHENYL)THIAZOLO(32B)(124)TRIAZOL6(5H)ONE
606962145
CCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)SC)SC3=N2
CCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)SC)c2=O
InChI=1SC21H19N3O2S2c131226168615(7916)19222124(2319)20(25)18(2821)131441017(272)11514h41113H312H212H3b1813+
MFCD04441944
ZINC000005893365
ZINC05893365
ZINC5893365
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