Vitas-M small molecule compound
(5E)-2-(4-butoxyphenyl)-5-[(2-methyl-2H-chromen-3-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK815178
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C/C1=Cc3ccccc3OC1C)/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 C25H23N3O3S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3S/c1-3-4-13-30-20-11-9-17(10-12-20)23-26-25-28(27-23)24(29)22(32-25)15-19-14-18-7-5-6-8-21(18)31-16(19)2/h5-12,14-16H,3-4,13H2,1-2H3/b22-15+InChIKey
AWIUCVZCBWPXQG-PXLXIMEGSA-NSynonyms
(5E)2(4butoxyphenyl)5((2methyl2Hchromen3yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5E)2(4butoxyphenyl)5((2methyl2Hchromen3yl)methylidene)(13)thiazolo(32b)(124)triazol6one
(Z)2(4butoxyphenyl)5((2methyl2Hchromen3yl)methylene)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC5=CC=CC=C5OC4C)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=CC1=Cc3ccccc3OC1C)c2=O
InChI=1SC25H23N3O3Sc13413302011917(101220)23262528(2723)24(29)22(3225)15191418756821(18)3116(19)2h5121416H3413H212H3b2215+
MFCD04442554
ZINC000026503195
ZINC000026503199
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