Vitas-M small molecule compound

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

Catalog ID
STK727091
SMILES O=C(N1CCN(CC1)c1ccc(c(c1)NC1C2CC3CC1CC(C2)C3)[N+](=O)[O-])Cc1ccccc1

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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 C28H34N4O3 MW 474.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N4O3/c33-27(17-19-4-2-1-3-5-19)31-10-8-30(9-11-31)24-6-7-26(32(34)35)25(18-24)29-28-22-13-20-12-21(15-22)16-23(28)14-20/h1-7,18,20-23,28-29H,8-17H2
InChIKey
USRYBOHFXGJQOI-UHFFFAOYSA-N
Synonyms
1021993-47-4
1(4(3((1r3r5r7r)adamantan2ylamino)4nitrophenyl)piperazin1yl)2phenylethanone
1(4(3(2ADAMANTYLAMINO)4NITROPHENYL)PIPERAZIN1YL)2PHENYLETHANONE
1(4(4nitro3(tricyclo(3311~37~)dec2ylamino)phenyl)piperazin1yl)2phenylethanone
1021993474
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))NC3C4CC5CC(C4)CC3C5)C(=O)CC6=CC=CC=C6
InChI=1SC28H34N4O3c3327(17194213519)3110830(91131)246726(32(34)35)25(1824)29282213201221(1522)1623(28)1420h171820232829H817H2
MFCD04023149
O=C(N1CCN(CC1)c1ccc(c(c1)NC1C2CC3CC1CC(C2)C3)(N+)(=O)(O))Cc1ccccc1
ZINC000009313248
ZINC09313248
ZINC9313248

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Available files

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