Vitas-M small molecule compound

(5Z)-5-[4-(dimethylamino)benzylidene]-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK818313
SMILES CCCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(cc1)N(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 C25H28N4O2S MW 448.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O2S/c1-4-5-6-7-16-31-21-14-10-19(11-15-21)23-26-25-29(27-23)24(30)22(32-25)17-18-8-12-20(13-9-18)28(2)3/h8-15,17H,4-7,16H2,1-3H3/b22-17-
InChIKey
NKWWLVJFXDPHFC-XLNRJJMWSA-N
Synonyms
(5Z)5((4(dimethylamino)phenyl)methylidene)2(4hexoxyphenyl)(13)thiazolo(32b)(124)triazol6one
(5Z)5((4DIMETHYLAMINOPHENYL)METHYLIDENE)2(4HEXOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4(dimethylamino)benzylidene)2(4(hexyloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)N(C)C)SC3=N2
CCCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)N(C)C)c2=O
Registry IDs
MFCD06308875
ZINC000003649160
ZINC03649160
ZINC3649160

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Available files

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