Vitas-M small molecule compound
4-{[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl}-7-methyl-2-oxo-2H-chromen-5-olate
Catalog ID
STK577644
SMILES Cc1cc([O-])c2c(c1)oc(=O)cc2C[NH+]1CCN(CC1)C(c1ccccc1)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 C28H28N2O3 MW 440.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O3/c1-20-16-24(31)27-23(18-26(32)33-25(27)17-20)19-29-12-14-30(15-13-29)28(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,16-18,28,31H,12-15,19H2,1H3InChIKey
YOPRYQJHRBSDJV-UHFFFAOYSA-NSynonyms
899390-70-64((4(diphenylmethyl)piperazin1ium1yl)methyl)7methyl2oxo2Hchromen5olate
CC1=CC2=C(C(=CC(=O)O2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=C1)O
Cc1cc((O))c2c(c1)oc(=O)cc2C(NH+)1CCN(CC1)C(c1ccccc1)c1ccccc1
InChI=1SC28H28N2O3c1201624(31)2723(1826(32)3325(27)1720)1929121430(151329)28(218425921)22106371122h21116182831H121519H21H3
MFCD06604835
ZINC000019371670
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