Vitas-M small molecule compound

(5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-(4-fluorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK704512
SMILES Fc1ccc(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 C25H26FN3O2S MW 451.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26FN3O2S/c1-24(2,3)17-11-14(12-18(20(17)30)25(4,5)6)13-19-22(31)29-23(32-19)27-21(28-29)15-7-9-16(26)10-8-15/h7-13,30H,1-6H3/b19-13-
InChIKey
RVJPFDCXIODUCF-UYRXBGFRSA-N
Synonyms
843632-14-4
(5Z)5((35DITERTBUTYL4HYDROXYPHENYL)METHYLIDENE)2(4FLUOROPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(35ditertbutyl4hydroxybenzylidene)2(4fluorophenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)5(35ditertbutyl4hydroxybenzylidene)2(4fluorophenyl)thiazolo(32b)(124)triazol6(5H)one
843632144
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)F)S2
Fc1ccc(cc1)c1nn2c(n1)sc(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c2=O
InChI=1SC25H26FN3O2Sc124(23)171114(1218(20(17)30)25(45)6)131922(31)2923(3219)2721(2829)157916(26)10815h71330H16H3b1913
MFCD04015027
ZINC000002422356
ZINC02422356
ZINC2422356

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Available files

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