Vitas-M small molecule compound
(3,4-dimethoxy-5-methylphenyl){4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}methanone
Catalog ID
STK271885
SMILES COc1c(C)cc(cc1OC)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)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 C25H29N5O5 MW 479.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O5/c1-16-12-19(14-23(34-4)24(16)35-5)25(31)28-10-8-27(9-11-28)20-6-7-21(30(32)33)22(15-20)29-18(3)13-17(2)26-29/h6-7,12-15H,8-11H2,1-5H3InChIKey
AMXAWWGILYBAHK-UHFFFAOYSA-NSynonyms
(34dimethoxy5methylphenyl)(4(3(35dimethyl1Hpyrazol1yl)4nitrophenyl)piperazin1yl)methanone
(34dimethoxy5methylphenyl)(4(3(35dimethylpyrazol1yl)4nitrophenyl)piperazin1yl)methanone
CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC(=C(C(=C4)OC)OC)C)(N+)(=O)(O))C
COc1c(C)cc(cc1OC)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)(N+)(=O)(O)
InChI=1SC25H29N5O5c1161219(1423(344)24(16)355)25(31)2810827(91128)206721(30(32)33)22(1520)2918(3)1317(2)2629h671215H811H215H3
MFCD08582938
ZINC000009614301
ZINC09614301
ZINC9614301
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