Vitas-M small molecule compound

3-methyl-8,13-dioxo-13,14-dihydro-8H-naphtho[2,3-a]phenoxazin-14-ium-7-olate

Catalog ID
STK563933
SMILES Cc1ccc2c(c1)Oc1c([NH2+]2)c2C(=O)c3ccccc3C(=O)c2c(c1)[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 C21H13NO4 MW 343.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13NO4/c1-10-6-7-13-15(8-10)26-16-9-14(23)17-18(19(16)22-13)21(25)12-5-3-2-4-11(12)20(17)24/h2-9,22-23H,1H3
InChIKey
HEAHTZNDLNUKHA-UHFFFAOYSA-N
Synonyms
94988-63-3
3methyl813dioxo1314dihydro8Hnaphtho(23a)phenoxazin14ium7olate
3METHYL813DIOXO14HNAPHTHO(23A)PHENOXAZIN14IUM7OLATE
7HYDROXY3METHYL14HNAPHTHO(23A)PHENOXAZINE813DIONE
7HYDROXY3METHYL14HNAPHTHO(32A)PHENOXAZINE813DIONE
7HYDROXY3METHYLNAPHTHO(23A)PHENOXAZINE813DIONE
94988633
CC1=CC2=C(C=C1)(NH2+)C3=C(O2)C=C(C4=C3C(=O)C5=CC=CC=C5C4=O)(O)
Cc1ccc2c(c1)Oc1c((NH2+)2)c2C(=O)c3ccccc3C(=O)c2c(c1)(O)
InChI=1SC21H13NO4c110671315(810)2616914(23)1718(19(16)2213)21(25)12532411(12)20(17)24h292223H1H3
MFCD00984997
ZINC000004333615

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Available files

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