Vitas-M small molecule compound
3-benzyl-6-chloro-8-[(2-ethylpiperidinium-1-yl)methyl]-4-methyl-2-oxo-2H-chromen-7-olate
Catalog ID
STK558794
SMILES CCC1CCCC[NH+]1Cc1c([O-])c(Cl)cc2c1oc(=O)c(c2C)Cc1ccccc1
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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 C25H28ClNO3 MW 425.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28ClNO3/c1-3-18-11-7-8-12-27(18)15-21-23(28)22(26)14-19-16(2)20(25(29)30-24(19)21)13-17-9-5-4-6-10-17/h4-6,9-10,14,18,28H,3,7-8,11-13,15H2,1-2H3InChIKey
PSQOCDMLJRKTTP-UHFFFAOYSA-NSynonyms
577961-22-93BENZYL6CHLORO8((2ETHYLPIPERIDIN1IUM1YL)METHYL)4METHYL2OXOCHROMEN7OLATE
3BENZYL6CHLORO8((2ETHYLPIPERIDIN1YL)METHYL)7HYDROXY4METHYLCHROMEN2ONE
3benzyl6chloro8((2ethylpiperidinium1yl)methyl)4methyl2oxo2Hchromen7olate
577961229
CCC1CCCC(NH+)1Cc1c((O))c(Cl)cc2c1oc(=O)c(c2C)Cc1ccccc1
CCC1CCCCN1CC2=C3C(=CC(=C2O)Cl)C(=C(C(=O)O3)CC4=CC=CC=C4)C
InChI=1SC25H28ClNO3c131811781227(18)152123(28)22(26)141916(2)20(25(29)3024(19)21)131795461017h46910141828H378111315H212H3
MFCD04028608
ZINC000020329101
ZINC000020329108
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