Vitas-M small molecule compound
4-{[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl}-6-ethyl-2-oxo-2H-chromen-7-olate
Catalog ID
STK570958
SMILES CCc1cc2c(cc1[O-])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 C29H30N2O3 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O3/c1-2-21-17-25-24(18-28(33)34-27(25)19-26(21)32)20-30-13-15-31(16-14-30)29(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,17-19,29,32H,2,13-16,20H2,1H3InChIKey
QNLCXTSPMLRNRM-UHFFFAOYSA-NSynonyms
896840-43-04((4(diphenylmethyl)piperazin1ium1yl)methyl)6ethyl2oxo2Hchromen7olate
CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O
CCc1cc2c(cc1(O))oc(=O)cc2C(NH+)1CCN(CC1)C(c1ccccc1)c1ccccc1
InChI=1SC29H30N2O3c1221172524(1828(33)3427(25)1926(21)32)2030131531(161430)29(2295361022)23117481223h31217192932H2131620H21H3
MFCD06600827
ZINC000019371428
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