Vitas-M small molecule compound

3-methyl-1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]butan-1-one

Catalog ID
STK150269
SMILES CC(CC(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)[N+](=O)[O-])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 C27H40N4O3 MW 468.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40N4O3/c1-18(2)10-26(32)30-8-6-29(7-9-30)23-4-5-25(31(33)34)24(14-23)28-19(3)27-15-20-11-21(16-27)13-22(12-20)17-27/h4-5,14,18-22,28H,6-13,15-17H2,1-3H3
InChIKey
RFOBAJWPYMBAJC-UHFFFAOYSA-N
Synonyms

1(4(3(1(1ADAMANTYL)ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)3METHYLBUTAN1ONE
3methyl1(4(4nitro3((1(tricyclo(3311~37~)dec1yl)ethyl)amino)phenyl)piperazin1yl)butan1one
CC(C)CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))NC(C)C34CC5CC(C3)CC(C5)C4
CC(CC(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)(N+)(=O)(O))C
InChI=1SC27H40N4O3c118(2)1026(32)308629(7930)234525(31(33)34)24(1423)2819(3)2715201121(1627)1322(1220)1727h4514182228H6131517H213H3
MFCD03134484
ZINC000009720444
ZINC000009720445

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Available files

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