Vitas-M small molecule compound

(4-butoxyphenyl){4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}methanone

Catalog ID
STK172420
SMILES CCCCOc1ccc(cc1)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 C26H31N5O4 MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5O4/c1-4-5-16-35-23-9-6-21(7-10-23)26(32)29-14-12-28(13-15-29)22-8-11-24(31(33)34)25(18-22)30-20(3)17-19(2)27-30/h6-11,17-18H,4-5,12-16H2,1-3H3
InChIKey
YGSUOHUMZVKOPP-UHFFFAOYSA-N
Synonyms

(4BUTOXYPHENYL)(4(3(35DIMETHYL1HPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)METHANONE
(4BUTOXYPHENYL)(4(3(35DIMETHYLPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)METHANONE
CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4C(=CC(=N4)C)C
CCCCOc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)(N+)(=O)(O)
InChI=1SC26H31N5O4c1451635239621(71023)26(32)29141228(131529)2281124(31(33)34)25(1822)3020(3)1719(2)2730h6111718H451216H213H3
MFCD04375492
ZINC000009891994
ZINC09891994
ZINC9891994

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Available files

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