Vitas-M small molecule compound

4-methyl-6-oxo-2-(piperidinium-1-ylmethyl)-6H-benzo[c]chromen-3-olate

Catalog ID
STL148882
SMILES [O-]c1c(C[NH+]2CCCCC2)cc2c(c1C)oc(=O)c1c2cccc1

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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 C20H21NO3 MW 323.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO3/c1-13-18(22)14(12-21-9-5-2-6-10-21)11-17-15-7-3-4-8-16(15)20(23)24-19(13)17/h3-4,7-8,11,22H,2,5-6,9-10,12H2,1H3
InChIKey
ZJXZRXHSMSOSNH-UHFFFAOYSA-N
Synonyms
578737-27-6
(O)c1c(C(NH+)2CCCCC2)cc2c(c1C)oc(=O)c1c2cccc1
3HYDROXY4METHYL2(1PIPERIDINYLMETHYL)6BENZO(C)(1)BENZOPYRANONE
3HYDROXY4METHYL2(PIPERIDIN1YLMETHYL)BENZO(C)CHROMEN6ONE
3HYDROXY4METHYL2(PIPERIDINOMETHYL)BENZO(C)CHROMEN6ONE
3HYDROXY4METHYL2PIPERIDIN1YLMETHYLBENZO(C)CHROMEN6ONE
4METHYL3OXIDANYL2(PIPERIDIN1YLMETHYL)BENZO(C)CHROMEN6ONE
4METHYL6OXO2(PIPERIDIN1IUM1YLMETHYL)BENZO(C)CHROMEN3OLATE
4methyl6oxo2(piperidinium1ylmethyl)6Hbenzo(c)chromen3olate
578737276
CC1=C2C(=CC(=C1O)CN3CCCCC3)C4=CC=CC=C4C(=O)O2
InChI=1SC20H21NO3c11318(22)14(122195261021)111715734816(15)20(23)2419(13)17h34781122H25691012H21H3
MFCD04031918
ZINC000013126301
ZINC13126301

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.