Vitas-M small molecule compound
3-benzyl-8-[(2-ethylpiperidinium-1-yl)methyl]-4-methyl-2-oxo-2H-chromen-7-olate
Catalog ID
STL036922
SMILES CCC1CCCC[NH+]1Cc1c([O-])ccc2c1oc(=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 C25H29NO3 MW 391.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO3/c1-3-19-11-7-8-14-26(19)16-22-23(27)13-12-20-17(2)21(25(28)29-24(20)22)15-18-9-5-4-6-10-18/h4-6,9-10,12-13,19,27H,3,7-8,11,14-16H2,1-2H3InChIKey
UFUQPSHAQYBXMR-UHFFFAOYSA-NSynonyms
843622-30-03BENZYL8((2ETHYLPIPERIDIN1IUM1YL)METHYL)4METHYL2OXOCHROMEN7OLATE
3BENZYL8((2ETHYLPIPERIDIN1YL)METHYL)7HYDROXY4METHYLCHROMEN2ONE
3benzyl8((2ethylpiperidinium1yl)methyl)4methyl2oxo2Hchromen7olate
843622300
CCC1CCCC(NH+)1Cc1c((O))ccc2c1oc(=O)c(c2C)Cc1ccccc1
CCC1CCCCN1CC2=C(C=CC3=C2OC(=O)C(=C3C)CC4=CC=CC=C4)O
InChI=1SC25H29NO3c131911781426(19)162223(27)13122017(2)21(25(28)2924(20)22)151895461018h4691012131927H378111416H212H3
MFCD04015489
ZINC000005046800
ZINC000005046801
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