Vitas-M small molecule compound
(2-methoxy-3-methylphenyl)[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]methanone
Catalog ID
STK198643
SMILES COc1c(C)cccc1C(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)[N+](=O)[O-]
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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 C31H40N4O4 MW 532.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N4O4/c1-20-5-4-6-26(29(20)39-3)30(36)34-11-9-33(10-12-34)25-7-8-28(35(37)38)27(16-25)32-21(2)31-17-22-13-23(18-31)15-24(14-22)19-31/h4-8,16,21-24,32H,9-15,17-19H2,1-3H3InChIKey
CKYWOUQKWSDISI-UHFFFAOYSA-NSynonyms
(2methoxy3methylphenyl)(4(4nitro3((1(tricyclo(3311~37~)dec1yl)ethyl)amino)phenyl)piperazin1yl)methanone
(4(3(1(1ADAMANTYL)ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)(2METHOXY3METHYLPHENYL)METHANONE
CC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NC(C)C45CC6CC(C4)CC(C6)C5
COc1c(C)cccc1C(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)(N+)(=O)(O)
InChI=1SC31H40N4O4c12054626(29(20)393)30(36)3411933(101234)257828(35(37)38)27(1625)3221(2)3117221323(1831)1524(1422)1931h4816212432H9151719H213H3
MFCD05826412
ZINC000009934607
ZINC000009934608
Check stock
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Check stock on Vitas-MAvailable files
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