Vitas-M small molecule compound
(2-chlorophenyl){4-[4-nitro-3-(tricyclo[3.3.1.1~3,7~]dec-2-ylamino)phenyl]piperazin-1-yl}methanone
Catalog ID
STK171891
SMILES [O-][N+](=O)c1ccc(cc1NC1C2CC3CC1CC(C2)C3)N1CCN(CC1)C(=O)c1ccccc1Cl
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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 C27H31ClN4O3 MW 495.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31ClN4O3/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,7-15H2InChIKey
CYLNOKYRQPZRGM-UHFFFAOYSA-NSynonyms
(2chlorophenyl)(4(4nitro3(tricyclo(3311~37~)dec2ylamino)phenyl)piperazin1yl)methanone
(4(3(2ADAMANTYLAMINO)4NITROPHENYL)PIPERAZIN1YL)(2CHLOROPHENYL)METHANONE
(O)(N+)(=O)c1ccc(cc1NC1C2CC3CC1CC(C2)C3)N1CCN(CC1)C(=O)c1ccccc1Cl
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))NC3C4CC5CC(C4)CC3C5)C(=O)C6=CC=CC=C6Cl
InChI=1SC27H31ClN4O3c2823421322(23)27(33)319730(81031)215625(32(34)35)24(1621)29261912171118(1419)1520(26)1317h1616202629H715H2
MFCD04073170
ZINC000009891903
ZINC09891903
ZINC9891903
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