Vitas-M small molecule compound
4-{[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl}-2-oxo-7-phenyl-2H-chromen-6-olate
Catalog ID
STK597143
SMILES COc1ccc(cc1)N1CC[NH+](CC1)Cc1cc(=O)oc2c1cc([O-])c(c2)c1ccccc1
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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 C27H26N2O4 MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4/c1-32-22-9-7-21(8-10-22)29-13-11-28(12-14-29)18-20-15-27(31)33-26-17-23(25(30)16-24(20)26)19-5-3-2-4-6-19/h2-10,15-17,30H,11-14,18H2,1H3InChIKey
HXRUWPWCBPRHEV-UHFFFAOYSA-NSynonyms
850824-74-74((4(4methoxyphenyl)piperazin1ium1yl)methyl)2oxo7phenyl2Hchromen6olate
COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)O)C5=CC=CC=C5
COc1ccc(cc1)N1CC(NH+)(CC1)Cc1cc(=O)oc2c1cc((O))c(c2)c1ccccc1
InChI=1SC27H26N2O4c132229721(81022)29131128(121429)18201527(31)33261723(25(30)1624(20)26)195324619h210151730H111418H21H3
MFCD05694081
ZINC000054105951
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