Vitas-M small molecule compound
(2E)-2-{3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK710403
SMILES Clc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)/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 C23H11ClF3N3O4S MW 517.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H11ClF3N3O4S/c24-14-9-12(10-20-21(31)29-16-4-2-1-3-15(16)28-22(29)35-20)5-7-18(14)34-19-8-6-13(23(25,26)27)11-17(19)30(32)33/h1-11H/b20-10+InChIKey
KEMRQCWNABCAMM-KEBDBYFISA-NSynonyms
(2E)2((3chloro4(2nitro4(trifluoromethyl)phenoxy)phenyl)methylidene)(13)thiazolo(32a)benzimidazol1one
(2E)2(3chloro4(2nitro4(trifluoromethyl)phenoxy)benzylidene)(13)thiazolo(32a)benzimidazol3(2H)one
(E)2(3chloro4(2nitro4(trifluoromethyl)phenoxy)benzylidene)benzo(45)imidazo(21b)thiazol3(2H)one
C1=CC=C2C(=C1)N=C3N2C(=O)C(=CC4=CC(=C(C=C4)OC5=C(C=C(C=C5)C(F)(F)F)(N+)(=O)(O))Cl)S3
Clc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F)C=c1sc2n(c1=O)c1c(n2)cccc1
InChI=1SC23H11ClF3N3O4Sc2414912(102021(31)2916421315(16)2822(29)3520)5718(14)34198613(23(2526)27)1117(19)30(32)33h111Hb2010+
MFCD02237014
ZINC000050860282
ZINC50860282
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