Vitas-M small molecule compound

N-[2-benzyl-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl]-4-nitrobenzamide

Catalog ID
STL059524
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])NC1=C(C(=O)c2ccccc2)N(Cc2ccccc2)S(=O)(=O)c2c1cccc2

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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 C29H21N3O6S MW 539.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O6S/c33-28(21-11-5-2-6-12-21)27-26(30-29(34)22-15-17-23(18-16-22)32(35)36)24-13-7-8-14-25(24)39(37,38)31(27)19-20-9-3-1-4-10-20/h1-18H,19H2,(H,30,34)
InChIKey
PMPBCNPCMBZJMA-UHFFFAOYSA-N
Synonyms
714231-97-7
714231977
C1=CC=C(C=C1)CN2C(=C(C3=CC=CC=C3S2(=O)=O)NC(=O)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C5=CC=CC=C5
InChI=1SC29H21N3O6Sc3328(21115261221)2726(3029(34)22151723(181622)32(35)36)2413781425(24)39(3738)31(27)192093141020h118H19H2(H3034)
MFCD04011236
N(2benzyl11dioxido3(phenylcarbonyl)2H12benzothiazin4yl)4nitrobenzamide
N(3BENZOYL2BENZYL11DIOXIDO2H12BENZOTHIAZIN4YL)4NITROBENZAMIDE
N(3benzoyl2benzyl11dioxido2Hbenzo(e)(12)thiazin4yl)4nitrobenzamide
N(3benzoyl2benzyl11dioxo1$l^(6)2benzothiazin4yl)4nitrobenzamide
O=C(c1ccc(cc1)(N+)(=O)(O))NC1=C(C(=O)c2ccccc2)N(Cc2ccccc2)S(=O)(=O)c2c1cccc2
ZINC000006010707
ZINC6010707

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Available files

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