Vitas-M small molecule compound
(5Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK799830
SMILES Clc1ccc(cc1)/C=C/c1nc2n(n1)c(=O)/c(=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/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 C27H28ClN3O2S MW 494.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O2S/c1-26(2,3)19-13-17(14-20(23(19)32)27(4,5)6)15-21-24(33)31-25(34-21)29-22(30-31)12-9-16-7-10-18(28)11-8-16/h7-15,32H,1-6H3/b12-9+,21-15-InChIKey
NQVWRJFAPMCRDG-SYHWEURASA-NSynonyms
(5Z)2((E)2(4chlorophenyl)ethenyl)5((35ditertbutyl4hydroxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2((E)2(4chlorophenyl)ethenyl)5(35ditertbutyl4hydroxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC=C(C=C4)Cl)S2
Clc1ccc(cc1)C=Cc1nc2n(n1)c(=O)c(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)s2
InChI=1SC27H28ClN3O2Sc126(23)191317(1420(23(19)32)27(45)6)152124(33)3125(3421)2922(3031)1291671018(28)11816h71532H16H3b129+2115
MFCD06642809
ZINC000016735162
ZINC16735162
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