Vitas-M small molecule compound
3-(1,3-benzothiazol-2-yl)-8-[(2-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Catalog ID
STK576984
SMILES [O-]c1ccc2c(c1C[NH+]1CCCCC1C)occ(c2=O)c1nc2c(s1)cccc2
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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 C23H22N2O3S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O3S/c1-14-6-4-5-11-25(14)12-16-19(26)10-9-15-21(27)17(13-28-22(15)16)23-24-18-7-2-3-8-20(18)29-23/h2-3,7-10,13-14,26H,4-6,11-12H2,1H3InChIKey
JPMBWXPVXZPNGX-UHFFFAOYSA-NSynonyms
637747-57-0(O)c1ccc2c(c1C(NH+)1CCCCC1C)occ(c2=O)c1nc2c(s1)cccc2
3(13benzothiazol2yl)8((2methylpiperidinium1yl)methyl)4oxo4Hchromen7olate
CC1CCCCN1CC2=C(C=CC3=C2OC=C(C3=O)C4=NC5=CC=CC=C5S4)O
InChI=1SC23H22N2O3Sc1146451125(14)121619(26)1091521(27)17(132822(15)16)232418723820(18)2923h23710131426H461112H21H3
MFCD03694836
ZINC000020233247
ZINC000020233252
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