Vitas-M small molecule compound

2-[(2E)-2-(4,5-dimethoxy-2-nitrobenzylidene)hydrazinyl]-1,3-benzothiazole

Catalog ID
STK169502
SMILES COc1cc(/C=N/Nc2nc3c(s2)cccc3)c(cc1OC)[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 C16H14N4O4S MW 358.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O4S/c1-23-13-7-10(12(20(21)22)8-14(13)24-2)9-17-19-16-18-11-5-3-4-6-15(11)25-16/h3-9H,1-2H3,(H,18,19)/b17-9+
InChIKey
VXALRMIGDXRPDS-RQZCQDPDSA-N
Synonyms

2((2E)2(45DIMETHOXY2NITROBENZYLIDENE)HYDRAZINYL)13BENZOTHIAZOLE
COC1=C(C=C(C(=C1)C=NNC2=NC3=CC=CC=C3S2)(N+)(=O)(O))OC
COc1cc(C=NNc2nc3c(s2)cccc3)c(cc1OC)(N+)(=O)(O)
InChI=1SC16H14N4O4Sc12313710(12(20(21)22)814(13)242)91719161811534615(11)2516h39H12H3(H1819)b179+
MFCD01028499
N((E)(45dimethoxy2nitrophenyl)methylideneamino)13benzothiazol2amine
ZINC000004703214
ZINC36129858

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Available files

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