Vitas-M small molecule compound

N-tert-butyl-3-{(2E)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl}propanamide

Catalog ID
STL291032
SMILES O=C(NC(C)(C)C)CCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1ccc(o1)[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 C19H21N5O6S MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O6S/c1-19(2,3)21-16(25)10-11-23(20-12-13-8-9-17(30-13)24(26)27)18-14-6-4-5-7-15(14)31(28,29)22-18/h4-9,12H,10-11H2,1-3H3,(H,21,25)/b20-12+
InChIKey
FMDNNLGPWSMARV-UDWIEESQSA-N
Synonyms

3((11BIS(OXIDANYLIDENE)12BENZOTHIAZOL3YL)((5NITROFURAN2YL)METHYLIDENEAMINO)AMINO)NTERTBUTYLPROPANAMIDE
CC(C)(C)NC(=O)CCN(C1=NS(=O)(=O)C2=CC=CC=C21)N=CC3=CC=C(O3)(N+)(=O)(O)
InChI=1SC19H21N5O6Sc119(23)2116(25)101123(2012138917(3013)24(26)27)1814645715(14)31(2829)2218h4912H1011H213H3(H2125)b2012+
MFCD03215144
N(TERTBUTYL)3((2E)1(11DIOXIDO12BENZISOTHIAZOL3YL)2((5NITRO2FURYL)METHYLENE)HYDRAZINO)PROPANAMIDE
NTERTBUTYL3((11DIKETO12BENZOTHIAZOL3YL)((5NITRO2FURYL)METHYLENEAMINO)AMINO)PROPIONAMIDE
NTERTBUTYL3((11DIOXO12BENZOTHIAZOL3YL)((5NITRO2FURANYL)METHYLIDENEAMINO)AMINO)PROPANAMIDE
NTERTBUTYL3((11DIOXO12BENZOTHIAZOL3YL)((5NITROFURAN2YL)METHYLIDENEAMINO)AMINO)PROPANAMIDE
Ntertbutyl3((11dioxo12benzothiazol3yl)((E)(5nitrofuran2yl)methylideneamino)amino)propanamide
Ntertbutyl3((2E)1(11dioxido12benzothiazol3yl)2((5nitrofuran2yl)methylidene)hydrazinyl)propanamide
O=C(NC(C)(C)C)CCN(C1=NS(=O)(=O)c2c1cccc2)N=Cc1ccc(o1)(N+)(=O)(O)
ZINC000008683275
ZINC13139469

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Available files

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