Vitas-M small molecule compound

4-{4-[(4-methoxyphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)benzamide

Catalog ID
STK175390
SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)NC12CC3CC(C2)CC(C1)C3

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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 C29H34N4O5 MW 518.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N4O5/c1-38-24-5-2-22(3-6-24)28(35)32-10-8-31(9-11-32)25-7-4-23(15-26(25)33(36)37)27(34)30-29-16-19-12-20(17-29)14-21(13-19)18-29/h2-7,15,19-21H,8-14,16-18H2,1H3,(H,30,34)
InChIKey
PGFNJMDGWHMVTB-UHFFFAOYSA-N
Synonyms

4(4((4methoxyphenyl)carbonyl)piperazin1yl)3nitroN(tricyclo(3311~37~)dec1yl)benzamide
COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5)(N+)(=O)(O)
COc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(=O)NC12CC3CC(C2)CC(C1)C3
InChI=1SC29H34N4O5c138245222(3624)28(35)3210831(91132)257423(1526(25)33(36)37)27(34)302916191220(1729)1421(1319)1829h27151921H8141618H21H3(H3034)
MFCD04219384
N(1ADAMANTYL)4(4(4METHOXYBENZOYL)PIPERAZIN1YL)3NITROBENZAMIDE
ZINC000009892491
ZINC09892491
ZINC9892491

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Available files

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