Vitas-M small molecule compound
(5E)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK815794
SMILES CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/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 C28H33N3O3S MW 491.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O3S/c1-8-13-34-19-11-9-18(10-12-19)24-29-26-31(30-24)25(33)22(35-26)16-17-14-20(27(2,3)4)23(32)21(15-17)28(5,6)7/h9-12,14-16,32H,8,13H2,1-7H3/b22-16+InChIKey
SBIRNPCZBRZSFT-CJLVFECKSA-NSynonyms
(5E)5((35ditertbutyl4hydroxyphenyl)methylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6one
(5E)5(35ditertbutyl4hydroxybenzylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)SC3=N2
CCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c2=O
InChI=1SC28H33N3O3Sc1813341911918(101219)24292631(3024)25(33)22(3526)16171420(27(23)4)23(32)21(1517)28(56)7h912141632H813H217H3b2216+
MFCD04598462
ZINC000016732797
ZINC16732797
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