Vitas-M small molecule compound

(5Z)-5-[4-(benzyloxy)benzylidene]-2-(3,4-dimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK800977
SMILES COc1cc(ccc1OC)c1nn2c(n1)s/c(=C\c1ccc(cc1)OCc1ccccc1)/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 C26H21N3O4S MW 471.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O4S/c1-31-21-13-10-19(15-22(21)32-2)24-27-26-29(28-24)25(30)23(34-26)14-17-8-11-20(12-9-17)33-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3/b23-14-
InChIKey
NGTNFAUKWFBYJZ-UCQKPKSFSA-N
Synonyms
585557-10-4
(5Z)2(34DIMETHOXYPHENYL)5((4PHENYLMETHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4(benzyloxy)benzylidene)2(34dimethoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)5(4(benzyloxy)benzylidene)2(34dimethoxyphenyl)thiazolo(32b)(124)triazol6(5H)one
585557104
COC1=C(C=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)OCC5=CC=CC=C5)SC3=N2)OC
COc1cc(ccc1OC)c1nn2c(n1)sc(=Cc1ccc(cc1)OCc1ccccc1)c2=O
InChI=1SC26H21N3O4Sc13121131019(1522(21)322)24272629(2824)25(30)23(3426)141781120(12917)3316186435718h315H16H212H3b2314
MFCD04030203
ZINC000002392010
ZINC02392010
ZINC2392010

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Available files

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