Vitas-M small molecule compound

(2-fluorophenyl){4-[4-nitro-3-(tricyclo[3.3.1.1~3,7~]dec-2-ylamino)phenyl]piperazin-1-yl}methanone

Catalog ID
STK158094
SMILES [O-][N+](=O)c1ccc(cc1NC1C2CC3CC1CC(C2)C3)N1CCN(CC1)C(=O)c1ccccc1F

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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 C27H31FN4O3 MW 478.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31FN4O3/c28-23-4-2-1-3-22(23)27(33)31-9-7-30(8-10-31)21-5-6-25(32(34)35)24(16-21)29-26-19-12-17-11-18(14-19)15-20(26)13-17/h1-6,16-20,26,29H,7-15H2
InChIKey
AGIGTDSYHDODNU-UHFFFAOYSA-N
Synonyms
957038-05-0
(2fluorophenyl)(4(4nitro3(tricyclo(3311~37~)dec2ylamino)phenyl)piperazin1yl)methanone
(4(3((1r3r5r7r)adamantan2ylamino)4nitrophenyl)piperazin1yl)(2fluorophenyl)methanone
(4(3(2ADAMANTYLAMINO)4NITROPHENYL)PIPERAZIN1YL)(2FLUOROPHENYL)METHANONE
(O)(N+)(=O)c1ccc(cc1NC1C2CC3CC1CC(C2)C3)N1CCN(CC1)C(=O)c1ccccc1F
957038050
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))NC3C4CC5CC(C4)CC3C5)C(=O)C6=CC=CC=C6F
InChI=1SC27H31FN4O3c2823421322(23)27(33)319730(81031)215625(32(34)35)24(1621)29261912171118(1419)1520(26)1317h1616202629H715H2
MFCD03686372
ZINC000009271774
ZINC09271774
ZINC9271774

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Available files

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