Vitas-M small molecule compound
(5E)-5-(4-nitrobenzylidene)-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK798431
SMILES CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C/c1ccc(cc1)[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 C20H16N4O4S MW 408.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4S/c1-2-11-28-16-9-5-14(6-10-16)18-21-20-23(22-18)19(25)17(29-20)12-13-3-7-15(8-4-13)24(26)27/h3-10,12H,2,11H2,1H3/b17-12+InChIKey
CTCRQEJWSMQTHI-SFQUDFHCSA-NSynonyms
(5E)5((4NITROPHENYL)METHYLIDENE)2(4PROPOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(4nitrobenzylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)5(4nitrobenzylidene)2(4propoxyphenyl)thiazolo(32b)(124)triazol6(5H)one
CCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)(N+)(=O)(O))SC3=N2
CCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)(N+)(=O)(O))c2=O
InChI=1SC20H16N4O4Sc121128169514(61016)18212023(2218)19(25)17(2920)12133715(8413)24(26)27h31012H211H21H3b1712+
MFCD03417686
ZINC000005853506
ZINC05853506
ZINC5853506
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