Vitas-M small molecule compound
[5-(naphthalen-1-yl)-1H-pyrazol-3-yl][4-(2,3,4-trimethoxybenzyl)piperazin-1-yl]methanone
Catalog ID
STK901364
SMILES COc1c(ccc(c1OC)OC)CN1CCN(CC1)C(=O)c1n[nH]c(c1)c1cccc2c1cccc2
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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 C28H30N4O4 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O4/c1-34-25-12-11-20(26(35-2)27(25)36-3)18-31-13-15-32(16-14-31)28(33)24-17-23(29-30-24)22-10-6-8-19-7-4-5-9-21(19)22/h4-12,17H,13-16,18H2,1-3H3,(H,29,30)InChIKey
ZVIIDFRTRBNHSP-UHFFFAOYSA-NSynonyms
(3naphthalen1yl1Hpyrazol5yl)(4((234trimethoxyphenyl)methyl)piperazin1yl)methanone
(5(naphthalen1yl)1Hpyrazol3yl)(4(234trimethoxybenzyl)piperazin1yl)methanone
COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=CC5=CC=CC=C54)OC)OC
COc1c(ccc(c1OC)OC)CN1CCN(CC1)C(=O)c1n(nH)c(c1)c1cccc2c1cccc2
InChI=1SC28H30N4O4c13425121120(26(352)27(25)363)1831131532(161431)28(33)241723(293024)22106819745921(19)22h41217H131618H213H3(H2930)
MFCD18174158
ZINC000044838761
ZINC44838761
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