Vitas-M small molecule compound

(4-tert-butylphenyl)[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]methanone

Catalog ID
STK148965
SMILES CC(C12CC3CC(C2)CC(C1)C3)Nc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccc(cc1)C(C)(C)C

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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 C33H44N4O3 MW 544.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N4O3/c1-22(33-19-23-15-24(20-33)17-25(16-23)21-33)34-29-18-28(9-10-30(29)37(39)40)35-11-13-36(14-12-35)31(38)26-5-7-27(8-6-26)32(2,3)4/h5-10,18,22-25,34H,11-17,19-21H2,1-4H3
InChIKey
GKIOLGDHUXLMRI-UHFFFAOYSA-N
Synonyms

(4(3(1(1ADAMANTYL)ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)(4TERTBUTYLPHENYL)METHANONE
(4tertbutylphenyl)(4(4nitro3((1(tricyclo(3311~37~)dec1yl)ethyl)amino)phenyl)piperazin1yl)methanone
CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)C(=O)C6=CC=C(C=C6)C(C)(C)C)(N+)(=O)(O)
CC(C12CC3CC(C2)CC(C1)C3)Nc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)c1ccc(cc1)C(C)(C)C
InChI=1SC33H44N4O3c122(3319231524(2033)1725(1623)2133)34291828(91030(29)37(39)40)35111336(141235)31(38)265727(8626)32(23)4h51018222534H11171921H214H3
MFCD02632039
ZINC000096022106
ZINC000096022107

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Available files

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