Vitas-M small molecule compound

N-(3,5-dimethyltricyclo[3.3.1.1~3,7~]dec-1-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide

Catalog ID
STK147725
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)NC12CC3CC(C2)(CC(C1)(C3)C)C

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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 C23H31N3O3 MW 397.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N3O3/c1-21-10-16-11-22(2,13-21)15-23(12-16,14-21)24-20(27)17-5-6-18(19(9-17)26(28)29)25-7-3-4-8-25/h5-6,9,16H,3-4,7-8,10-15H2,1-2H3,(H,24,27)
InChIKey
XMJDMPIOPSWRIU-UHFFFAOYSA-N
Synonyms
449769-28-2
449769282
CC12CC3CC(C1)(CC(C3)(C2)NC(=O)C4=CC(=C(C=C4)N5CCCC5)(N+)(=O)(O))C
InChI=1SC23H31N3O3c12110161122(21321)1523(12161421)2420(27)175618(19(917)26(28)29)25734825h56916H34781015H212H3(H2427)
MFCD03262389
N(35DIMETHYL1ADAMANTYL)3NITRO4PYRROLIDIN1YLBENZAMIDE
N(35DIMETHYLADAMANTANYL)(3NITRO4PYRROLIDINYLPHENYL)CARBOXAMIDE
N(35dimethyltricyclo(3311~37~)dec1yl)3nitro4(pyrrolidin1yl)benzamide
O=C(c1ccc(c(c1)(N+)(=O)(O))N1CCCC1)NC12CC3CC(C2)(CC(C1)(C3)C)C
ZINC000018254263

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Available files

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