Vitas-M small molecule compound
8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-2H-chromen-2-one
Catalog ID
STK534092
SMILES O=c1oc2c(cc1c1nc3c(s1)cccc3)ccc(c2CN1CCCCCC1)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 C23H22N2O3S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O3S/c26-19-10-9-15-13-16(22-24-18-7-3-4-8-20(18)29-22)23(27)28-21(15)17(19)14-25-11-5-1-2-6-12-25/h3-4,7-10,13,26H,1-2,5-6,11-12,14H2InChIKey
XNKWANOGEXWNFF-UHFFFAOYSA-NSynonyms
315237-43-5315237435
8(azepan1ium1ylmethyl)3(13benzothiazol2yl)2oxochromen7olate
8(azepan1ylmethyl)3(13benzothiazol2yl)7hydroxy2Hchromen2one
8(azepan1ylmethyl)3(benzo(d)thiazol2yl)7hydroxy2Hchromen2one
C1CCC(NH+)(CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5S4)(O)
InChI=1SC23H22N2O3Sc2619109151316(222418734820(18)2922)23(27)2821(15)17(19)14251151261225h347101326H1256111214H2
MFCD01943340
ZINC000000635382
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