Vitas-M small molecule compound
3-(4-chlorophenyl)-2-methyl-4-oxo-8-(piperidinium-1-ylmethyl)-4H-chromen-7-olate
Catalog ID
STK570284
SMILES Clc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2C[NH+]1CCCCC1)[O-]
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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 C22H22ClNO3 MW 383.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNO3/c1-14-20(15-5-7-16(23)8-6-15)21(26)17-9-10-19(25)18(22(17)27-14)13-24-11-3-2-4-12-24/h5-10,25H,2-4,11-13H2,1H3InChIKey
IPFMLDPJFPXLDC-UHFFFAOYSA-NSynonyms
637751-88-33(4chlorophenyl)2methyl4oxo8(piperidinium1ylmethyl)4Hchromen7olate
CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCCC3)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2C(NH+)1CCCCC1)(O)
InChI=1SC22H22ClNO3c11420(155716(23)8615)21(26)1791019(25)18(22(17)2714)1324113241224h51025H241113H21H3
MFCD04155691
ZINC000020357617
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