Vitas-M small molecule compound

6-chloro-3-hexyl-4-methyl-2-oxo-8-(piperidinium-1-ylmethyl)-2H-chromen-7-olate

Catalog ID
STK562801
SMILES CCCCCCc1c(=O)oc2c(c1C)cc(c(c2C[NH+]1CCCCC1)[O-])Cl

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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 C22H30ClNO3 MW 391.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30ClNO3/c1-3-4-5-7-10-16-15(2)17-13-19(23)20(25)18(21(17)27-22(16)26)14-24-11-8-6-9-12-24/h13,25H,3-12,14H2,1-2H3
InChIKey
XRKIZPIQIZFNBZ-UHFFFAOYSA-N
Synonyms
577999-66-7
577999667
6CHLORO3HEXYL4METHYL2OXO8(PIPERIDIN1IUM1YLMETHYL)CHROMEN7OLATE
6chloro3hexyl4methyl2oxo8(piperidinium1ylmethyl)2Hchromen7olate
6CHLORO3HEXYL7HYDROXY4METHYL8(PIPERIDIN1YLMETHYL)CHROMEN2ONE
CCCCCCC1=C(C2=CC(=C(C(=C2OC1=O)C(NH+)3CCCCC3)(O))Cl)C
CCCCCCc1c(=O)oc2c(c1C)cc(c(c2C(NH+)1CCCCC1)(O))Cl
InChI=1SC22H30ClNO3c13457101615(2)171319(23)20(25)18(21(17)2722(16)26)1424118691224h1325H31214H212H3
MFCD04023457
ZINC000020323874
ZINC20323874

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Available files

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