Vitas-M small molecule compound

2-[(2E)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)-2-(4-nitrobenzylidene)hydrazinyl]ethyl 4-bromobenzoate

Catalog ID
STK131369
SMILES Brc1ccc(cc1)C(=O)OCCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1ccc(cc1)[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 C23H17BrN4O6S MW 557.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrN4O6S/c24-18-9-7-17(8-10-18)23(29)34-14-13-27(25-15-16-5-11-19(12-6-16)28(30)31)22-20-3-1-2-4-21(20)35(32,33)26-22/h1-12,15H,13-14H2/b25-15+
InChIKey
LHOVUXRIMZNXLV-MFKUBSTISA-N
Synonyms

2(((1E)2(4NITROPHENYL)1AZAVINYL)(11DIOXOBENZO(D)12THIAZOLIN3YL)AMINO)ETHYL4BROMOBENZOATE
2((11dioxo12benzothiazol3yl)((E)(4nitrophenyl)methylideneamino)amino)ethyl4bromobenzoate
2((2E)1(11DIOXIDO12BENZOTHIAZOL3YL)2(4NITROBENZYLIDENE)HYDRAZINYL)ETHYL4BROMOBENZOATE
Brc1ccc(cc1)C(=O)OCCN(C1=NS(=O)(=O)c2c1cccc2)N=Cc1ccc(cc1)(N+)(=O)(O)
C1=CC=C2C(=C1)C(=NS2(=O)=O)N(CCOC(=O)C3=CC=C(C=C3)Br)N=CC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC23H17BrN4O6Sc24189717(81018)23(29)34141327(25151651119(12616)28(30)31)2220312421(20)35(3233)2622h11215H1314H2b2515+
MFCD02299611
ZINC000100478931
ZINC100478924

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Available files

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