Vitas-M small molecule compound

(5Z)-5-(3-nitrobenzylidene)-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK799803
SMILES COc1cc(cc(c1OC)OC)c1nn2c(n1)s/c(=C\c1cccc(c1)[N+](=O)[O-])/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 C20H16N4O6S MW 440.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O6S/c1-28-14-9-12(10-15(29-2)17(14)30-3)18-21-20-23(22-18)19(25)16(31-20)8-11-5-4-6-13(7-11)24(26)27/h4-10H,1-3H3/b16-8-
InChIKey
HUPNLUHOBRXRBK-PXNMLYILSA-N
Synonyms
618853-09-1
(5Z)5((3NITROPHENYL)METHYLIDENE)2(345TRIMETHOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(3nitrobenzylidene)2(345trimethoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)5(3nitrobenzylidene)2(345trimethoxyphenyl)thiazolo(32b)(124)triazol6(5H)one
618853091
COC1=CC(=CC(=C1OC)OC)C2=NN3C(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))SC3=N2
COc1cc(cc(c1OC)OC)c1nn2c(n1)sc(=Cc1cccc(c1)(N+)(=O)(O))c2=O
InChI=1SC20H16N4O6Sc12814912(1015(292)17(14)303)18212023(2218)19(25)16(3120)81154613(711)24(26)27h410H13H3b168
MFCD04009064
ZINC000001899630
ZINC01899630
ZINC1899630

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Available files

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