Vitas-M small molecule compound
(5E)-5-(4-nitrobenzylidene)-2-[4-(propan-2-yloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK703131
SMILES CC(Oc1ccc(cc1)c1nn2c(n1)s/c(=C/c1ccc(cc1)[N+](=O)[O-])/c2=O)C
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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/c1-12(2)28-16-9-5-14(6-10-16)18-21-20-23(22-18)19(25)17(29-20)11-13-3-7-15(8-4-13)24(26)27/h3-12H,1-2H3/b17-11+InChIKey
GXGYYNWFHZEWBY-GZTJUZNOSA-NSynonyms
(5E)5((4NITROPHENYL)METHYLIDENE)2(4PROPAN2YLOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(4nitrobenzylidene)2(4(propan2yloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)2(4isopropoxyphenyl)5(4nitrobenzylidene)thiazolo(32b)(124)triazol6(5H)one
CC(C)OC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)(N+)(=O)(O))SC3=N2
CC(Oc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)(N+)(=O)(O))c2=O)C
InChI=1SC20H16N4O4Sc112(2)28169514(61016)18212023(2218)19(25)17(2920)11133715(8413)24(26)27h312H12H3b1711+
MFCD03462521
ZINC000005836441
ZINC05836441
ZINC5836441
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