Vitas-M small molecule compound

3-(1,3-benzothiazol-2-yl)-2-(ethoxycarbonyl)-6-ethyl-8-[(4-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate

Catalog ID
STL036995
SMILES CCOC(=O)c1oc2c(C[NH+]3CCC(CC3)C)c([O-])c(cc2c(=O)c1c1nc2c(s1)cccc2)CC

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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 C28H30N2O5S MW 506.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O5S/c1-4-17-14-18-24(32)22(27-29-20-8-6-7-9-21(20)36-27)26(28(33)34-5-2)35-25(18)19(23(17)31)15-30-12-10-16(3)11-13-30/h6-9,14,16,31H,4-5,10-13,15H2,1-3H3
InChIKey
NRWOMRODYAARSS-UHFFFAOYSA-N
Synonyms
385419-25-0
3(13benzothiazol2yl)2(ethoxycarbonyl)6ethyl8((4methylpiperidinium1yl)methyl)4oxo4Hchromen7olate
CCOC(=O)c1oc2c(C(NH+)3CCC(CC3)C)c((O))c(cc2c(=O)c1c1nc2c(s1)cccc2)CC

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Available files

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