Vitas-M small molecule compound
(2Z)-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK854415
SMILES COc1c(ccc(c1OC)OC)/C=C/1\Oc2c(C1=O)c(C)cc(c2C[NH+]1CCN(CC1)C)[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 C25H30N2O6 MW 454.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O6/c1-15-12-18(28)17(14-27-10-8-26(2)9-11-27)24-21(15)22(29)20(33-24)13-16-6-7-19(30-3)25(32-5)23(16)31-4/h6-7,12-13,28H,8-11,14H2,1-5H3/b20-13-InChIKey
QZPZLISBWVCNPN-MOSHPQCFSA-NSynonyms
903853-52-1(2Z)4methyl7((4methylpiperazin1ium1yl)methyl)3oxo2(234trimethoxybenzylidene)23dihydro1benzofuran6olate
(2Z)6hydroxy4methyl7((4methylpiperazin1yl)methyl)2((234trimethoxyphenyl)methylidene)1benzofuran3one
903853521
CC1=CC(=C(C2=C1C(=O)C(=CC3=C(C(=C(C=C3)OC)OC)OC)O2)CN4CCN(CC4)C)O
COc1c(ccc(c1OC)OC)C=C1Oc2c(C1=O)c(C)cc(c2C(NH+)1CCN(CC1)C)(O)
InChI=1SC25H30N2O6c1151218(28)17(142710826(2)91127)2421(15)22(29)20(3324)13166719(303)25(325)23(16)314h67121328H81114H215H3b2013
MFCD08286532
ZINC000020573429
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