Vitas-M small molecule compound

2-amino-8-(azepanium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-olate

Catalog ID
STL044436
SMILES Nc1oc2c(C[NH+]3CCCCCC3)c([O-])ccc2c(=O)c1c1nc2c(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 C23H23N3O3S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O3S/c24-22-19(23-25-16-7-3-4-8-18(16)30-23)20(28)14-9-10-17(27)15(21(14)29-22)13-26-11-5-1-2-6-12-26/h3-4,7-10,27H,1-2,5-6,11-13,24H2
InChIKey
ZMHXYKHSAGVCPK-UHFFFAOYSA-N
Synonyms
610759-81-4
610759814
MFCD03671109
Nc1oc2c(C(NH+)3CCCCCC3)c((O))ccc2c(=O)c1c1nc2c(s1)cccc2
ZINC000019682105

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.