Vitas-M small molecule compound

N-[(1E)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide

Catalog ID
STK725420
SMILES O=C(/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccc(cc1)C(C)(C)C)N1CCCCCC1

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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 C26H31N3O4 MW 449.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O4/c1-26(2,3)21-13-11-20(12-14-21)24(30)27-23(25(31)28-15-6-4-5-7-16-28)18-19-9-8-10-22(17-19)29(32)33/h8-14,17-18H,4-7,15-16H2,1-3H3,(H,27,30)/b23-18+
InChIKey
WVGJBRCXCPUBCV-PTGBLXJZSA-N
Synonyms
373376-48-8
(E)N(3(azepan1yl)1(3nitrophenyl)3oxoprop1en2yl)4(tertbutyl)benzamide
373376488
CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)(N+)(=O)(O))C(=O)N3CCCCCC3
InChI=1SC26H31N3O4c126(23)21131120(121421)24(30)2723(25(31)281564571628)1819981022(1719)29(32)33h8141718H471516H213H3(H2730)b2318+
MFCD01946536
N((1E)3(azepan1yl)1(3nitrophenyl)3oxoprop1en2yl)4tertbutylbenzamide
N((E)3(AZEPAN1YL)1(3NITROPHENYL)3OXOPROP1EN2YL)4TERTBUTYLBENZAMIDE
O=C(C(=Cc1cccc(c1)(N+)(=O)(O))NC(=O)c1ccc(cc1)C(C)(C)C)N1CCCCCC1
ZINC000002279999
ZINC02279999
ZINC2279999

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Available files

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