Vitas-M small molecule compound

5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl (1E)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)-2-oxoethanehydrazonothioate

Catalog ID
STL055175
SMILES COc1ccc(cc1)N/N=C(\C(=O)c1ccc(cc1)[N+](=O)[O-])/Sc1nnc(o1)c1cccc(c1)Br

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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 C23H16BrN5O5S MW 554.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16BrN5O5S/c1-33-19-11-7-17(8-12-19)25-27-22(20(30)14-5-9-18(10-6-14)29(31)32)35-23-28-26-21(34-23)15-3-2-4-16(24)13-15/h2-13,25H,1H3/b27-22+
InChIKey
HPNCGYIEOUVBIW-HPNDGRJYSA-N
Synonyms
324064-54-2
(2E)2(5(3BROMOPHENYL)(134OXADIAZOL2YL)THIO)3((4METHOXYPHENYL)AMINO)1(4NITROPHENYL)3AZAPROP2EN1ONE
(5(3BROMOPHENYL)134OXADIAZOL2YL)(1E)N(4METHOXYANILINO)2(4NITROPHENYL)2OXOETHANIMIDOTHIOATE
(E)5(3bromophenyl)134oxadiazol2ylN(4methoxyphenyl)2(4nitrophenyl)2oxoethanehydrazonothioate
324064542
5(3bromophenyl)134oxadiazol2yl(1E)N(4methoxyphenyl)2(4nitrophenyl)2oxoethanehydrazonothioate
COC1=CC=C(C=C1)NN=C(C(=O)C2=CC=C(C=C2)(N+)(=O)(O))SC3=NN=C(O3)C4=CC(=CC=C4)Br
COc1ccc(cc1)NN=C(C(=O)c1ccc(cc1)(N+)(=O)(O))Sc1nnc(o1)c1cccc(c1)Br
InChI=1SC23H16BrN5O5Sc1331911717(81219)252722(20(30)145918(10614)29(31)32)3523282621(3423)1532416(24)1315h21325H1H3b2722+
MFCD01793801
ZINC000011024932
ZINC103126069

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Available files

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