Vitas-M small molecule compound
(5E)-2-(4-methoxyphenyl)-5-(3-nitrobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK797637
SMILES COc1ccc(cc1)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 C18H12N4O4S MW 380.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N4O4S/c1-26-14-7-5-12(6-8-14)16-19-18-21(20-16)17(23)15(27-18)10-11-3-2-4-13(9-11)22(24)25/h2-10H,1H3/b15-10+InChIKey
ZLAMWTVEPPIBGP-XNTDXEJSSA-NSynonyms
(5E)2(4METHOXYPHENYL)5((3NITROPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)2(4methoxyphenyl)5(3nitrobenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)2(4methoxyphenyl)5(3nitrobenzylidene)thiazolo(32b)(124)triazol6(5H)one
COC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))SC3=N2
COc1ccc(cc1)c1nn2c(n1)sc(=Cc1cccc(c1)(N+)(=O)(O))c2=O
InChI=1SC18H12N4O4Sc126147512(6814)16191821(2016)17(23)15(2718)101132413(911)22(24)25h210H1H3b1510+
MFCD03417100
ZINC000006245212
ZINC06245212
ZINC6245212
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