Vitas-M small molecule compound
(5E)-2-(3-methylphenyl)-5-(3-nitrobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK800411
SMILES Cc1cccc(c1)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 C18H12N4O3S MW 364.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N4O3S/c1-11-4-2-6-13(8-11)16-19-18-21(20-16)17(23)15(26-18)10-12-5-3-7-14(9-12)22(24)25/h2-10H,1H3/b15-10+InChIKey
HAGUVVPOKBRARU-XNTDXEJSSA-NSynonyms
(5E)2(3METHYLPHENYL)5((3NITROPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)2(3methylphenyl)5(3nitrobenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)5(3nitrobenzylidene)2(mtolyl)thiazolo(32b)(124)triazol6(5H)one
CC1=CC=CC(=C1)C2=NN3C(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))SC3=N2
Cc1cccc(c1)c1nn2c(n1)sc(=Cc1cccc(c1)(N+)(=O)(O))c2=O
InChI=1SC18H12N4O3Sc11142613(811)16191821(2016)17(23)15(2618)101253714(912)22(24)25h210H1H3b1510+
MFCD04447108
ZINC000006479018
ZINC06479018
ZINC6479018
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