Vitas-M small molecule compound
(2E)-2-{2-[(4-fluorobenzyl)oxy]-5-nitrobenzylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK005998
SMILES Fc1ccc(cc1)COc1ccc(cc1/C=c\1/sc2n(c1=O)c1c(n2)cccc1)[N+](=O)[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 C23H14FN3O4S MW 447.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14FN3O4S/c24-16-7-5-14(6-8-16)13-31-20-10-9-17(27(29)30)11-15(20)12-21-22(28)26-19-4-2-1-3-18(19)25-23(26)32-21/h1-12H,13H2/b21-12+InChIKey
DGVSGBMCLLISAK-CIAFOILYSA-NSynonyms
(2E)2((2((4fluorophenyl)methoxy)5nitrophenyl)methylidene)(13)thiazolo(32a)benzimidazol1one
(2E)2(2((4FLUOROBENZYL)OXY)5NITROBENZYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL3(2H)ONE
C1=CC=C2C(=C1)N=C3N2C(=O)C(=CC4=C(C=CC(=C4)(N+)(=O)(O))OCC5=CC=C(C=C5)F)S3
Fc1ccc(cc1)COc1ccc(cc1C=c1sc2n(c1=O)c1c(n2)cccc1)(N+)(=O)(O)
InChI=1SC23H14FN3O4Sc24167514(6816)13312010917(27(29)30)1115(20)122122(28)2619421318(19)2523(26)3221h112H13H2b2112+
MFCD09959910
STK005998
ZINC000012285287
ZINC12285287
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