Vitas-M small molecule compound
3-(1,3-benzothiazol-2-yl)-8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Catalog ID
STK576386
SMILES CC1CCC[NH+](C1)Cc1c([O-])ccc2c1occ(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/c1-14-5-4-10-25(11-14)12-16-19(26)9-8-15-21(27)17(13-28-22(15)16)23-24-18-6-2-3-7-20(18)29-23/h2-3,6-9,13-14,26H,4-5,10-12H2,1H3InChIKey
WFRSFJHNRAQMBY-UHFFFAOYSA-NSynonyms
637747-63-83(13benzothiazol2yl)8((3methylpiperidinium1yl)methyl)4oxo4Hchromen7olate
CC1CCC(NH+)(C1)Cc1c((O))ccc2c1occ(c2=O)c1nc2c(s1)cccc2
CC1CCCN(C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=NC5=CC=CC=C5S4)O
InChI=1SC23H22N2O3Sc114541025(1114)121619(26)981521(27)17(132822(15)16)232418623720(18)2923h2369131426H451012H21H3
MFCD03693124
ZINC000020231470
ZINC000020231473
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