Vitas-M small molecule compound
4-{[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl}-2-oxo-7-phenyl-2H-chromen-6-olate
Catalog ID
STK585138
SMILES COc1ccccc1N1CC[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/c1-32-25-10-6-5-9-23(25)29-13-11-28(12-14-29)18-20-15-27(31)33-26-17-21(24(30)16-22(20)26)19-7-3-2-4-8-19/h2-10,15-17,30H,11-14,18H2,1H3InChIKey
REYOJBKNAKDQFQ-UHFFFAOYSA-NSynonyms
902332-77-84((4(2methoxyphenyl)piperazin1ium1yl)methyl)2oxo7phenyl2Hchromen6olate
4((4(2methoxyphenyl)piperazin1ium1yl)methyl)2oxo7phenylchromen6olate
COC1=CC=CC=C1N2CC(NH+)(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)(O))C5=CC=CC=C5
COc1ccccc1N1CC(NH+)(CC1)Cc1cc(=O)oc2c1cc((O))c(c2)c1ccccc1
InChI=1SC27H26N2O4c132251065923(25)29131128(121429)18201527(31)33261721(24(30)1622(20)26)197324819h210151730H111418H21H3
MFCD06788737
ZINC000054220013
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