Vitas-M small molecule compound
(5E)-2-(4-ethoxyphenyl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK797870
SMILES CCOc1ccc(cc1)c1nn2c(n1)s/c(=C/c1ccc(o1)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 C23H16N4O5S MW 460.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N4O5S/c1-2-31-17-8-6-14(7-9-17)21-24-23-26(25-21)22(28)20(33-23)13-18-10-11-19(32-18)15-4-3-5-16(12-15)27(29)30/h3-13H,2H2,1H3/b20-13+InChIKey
XRWXSKHXWMWNMM-DEDYPNTBSA-NSynonyms
(5E)2(4ethoxyphenyl)5((5(3nitrophenyl)furan2yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5E)2(4ETHOXYPHENYL)5((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(O4)C5=CC(=CC=C5)(N+)(=O)(O))SC3=N2
CCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))c2=O
InChI=1SC23H16N4O5Sc1231178614(7917)21242326(2521)22(28)20(3323)1318101119(3218)1543516(1215)27(29)30h313H2H21H3b2013+
MFCD03461780
ZINC000016700023
ZINC16700023
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