Vitas-M small molecule compound
(2E)-2-{3-ethoxy-4-[(3-nitrobenzyl)oxy]benzylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STL418799
SMILES CCOc1cc(ccc1OCc1cccc(c1)[N+](=O)[O-])/C=c\1/sc2n(c1=O)c1c(n2)cccc1
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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 C25H19N3O5S MW 473.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O5S/c1-2-32-22-13-16(10-11-21(22)33-15-17-6-5-7-18(12-17)28(30)31)14-23-24(29)27-20-9-4-3-8-19(20)26-25(27)34-23/h3-14H,2,15H2,1H3/b23-14+InChIKey
LRGNXJUZLSZDPR-OEAKJJBVSA-NSynonyms
(2E)2((3ethoxy4((3nitrophenyl)methoxy)phenyl)methylidene)(13)thiazolo(32a)benzimidazol1one
(2E)2(3ethoxy4((3nitrobenzyl)oxy)benzylidene)(13)thiazolo(32a)benzimidazol3(2H)one
CCOC1=C(C=CC(=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)OCC5=CC(=CC=C5)(N+)(=O)(O)
CCOc1cc(ccc1OCc1cccc(c1)(N+)(=O)(O))C=c1sc2n(c1=O)c1c(n2)cccc1
InChI=1SC25H19N3O5Sc1232221316(101121(22)33151765718(1217)28(30)31)142324(29)2720943819(20)2625(27)3423h314H215H21H3b2314+
MFCD03167654
ZINC000035174122
ZINC35174122
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