Vitas-M small molecule compound

(1-{[(E)-(5-nitrothiophen-2-yl)methylidene]amino}-1H-benzimidazol-2-yl)methanol

Catalog ID
STL055632
SMILES OCc1nc2c(n1/N=C/c1ccc(s1)[N+](=O)[O-])cccc2

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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 C13H10N4O3S MW 302.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10N4O3S/c18-8-12-15-10-3-1-2-4-11(10)16(12)14-7-9-5-6-13(21-9)17(19)20/h1-7,18H,8H2/b14-7+
InChIKey
OCCRLGJJTLTELL-VGOFMYFVSA-N
Synonyms
573970-90-8
(1(((E)(5nitrothiophen2yl)methylidene)amino)1Hbenzimidazol2yl)methanol
(1((1(5NITROTHIOPHEN2YL)METH(E)YLIDENE)AMINO)1HBENZOIMIDAZOL2YL)METHANOL
(1((5NITRO2THIENYL)METHYLENEAMINO)BENZIMIDAZOL2YL)METHANOL
(1((5NITRO2THIOPHENYL)METHYLIDENEAMINO)2BENZIMIDAZOLYL)METHANOL
(1((5NITROTHIOPHEN2YL)METHYLIDENEAMINO)BENZIMIDAZOL2YL)METHANOL
(1((E)(5nitrothiophen2yl)methylideneamino)benzimidazol2yl)methanol
(E)(1(((5nitrothiophen2yl)methylene)amino)1Hbenzo(d)imidazol2yl)methanol
573970908
C1=CC=C2C(=C1)N=C(N2N=CC3=CC=C(S3)(N+)(=O)(O))CO
InChI=1SC13H10N4O3Sc188121510312411(10)16(12)14795613(219)17(19)20h1718H8H2b147+
MFCD04022970
OCc1nc2c(n1N=Cc1ccc(s1)(N+)(=O)(O))cccc2
ZINC000000530666
ZINC13109314

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.