Vitas-M small molecule compound
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(2-methyl-3-nitrophenyl)acetamide
Catalog ID
STK247728
SMILES O=C(Nc1cccc(c1C)[N+](=O)[O-])COc1ccc(cc1)S(=O)(=O)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 C21H25N3O6S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O6S/c1-16-19(7-6-8-20(16)24(26)27)22-21(25)15-30-17-9-11-18(12-10-17)31(28,29)23-13-4-2-3-5-14-23/h6-12H,2-5,13-15H2,1H3,(H,22,25)InChIKey
RFOQQZCVQFPDTH-UHFFFAOYSA-NSynonyms
2(4(azepan1ylsulfonyl)phenoxy)N(2methyl3nitrophenyl)acetamide
CC1=C(C=CC=C1(N+)(=O)(O))NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3
InChI=1SC21H25N3O6Sc11619(76820(16)24(26)27)2221(25)15301791118(121017)31(2829)231342351423h612H251315H21H3(H2225)
MFCD08677288
O=C(Nc1cccc(c1C)(N+)(=O)(O))COc1ccc(cc1)S(=O)(=O)N1CCCCCC1
ZINC000009667934
ZINC09667934
ZINC9667934
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