Vitas-M small molecule compound
(2E)-2-[2-(2,4-dinitrophenoxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK121297
SMILES COc1cccc(c1Oc1ccc(cc1[N+](=O)[O-])[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 C23H14N4O7S MW 490.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14N4O7S/c1-33-19-8-4-5-13(21(19)34-18-10-9-14(26(29)30)12-17(18)27(31)32)11-20-22(28)25-16-7-3-2-6-15(16)24-23(25)35-20/h2-12H,1H3/b20-11+InChIKey
CVSYPAAVWHBVJR-RGVLZGJSSA-NSynonyms
(2E)2((2(24dinitrophenoxy)3methoxyphenyl)methylidene)(13)thiazolo(32a)benzimidazol1one
(2E)2(2(24DINITROPHENOXY)3METHOXYBENZYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL3(2H)ONE
COC1=CC=CC(=C1OC2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O))C=C3C(=O)N4C5=CC=CC=C5N=C4S3
COc1cccc(c1Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C=c1sc2n(c1=O)c1c(n2)cccc1
InChI=1SC23H14N4O7Sc1331984513(21(19)341810914(26(29)30)1217(18)27(31)32)112022(28)2516732615(16)2423(25)3520h212H1H3b2011+
MFCD05150284
ZINC000009187171
ZINC09187171
ZINC9187171
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