Vitas-M small molecule compound

2-amino-4-(1,3-benzodioxol-5-yl)-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

Catalog ID
STK788637
SMILES N#CC1=C(N)Oc2c(C1c1ccc3c(c1)OCO3)c(=O)n(c(c2)C)Cc1ccc2c(c1)OCO2

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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 C25H19N3O6 MW 457.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O6/c1-13-6-21-23(25(29)28(13)10-14-2-4-17-19(7-14)32-11-30-17)22(16(9-26)24(27)34-21)15-3-5-18-20(8-15)33-12-31-18/h2-8,22H,10-12,27H2,1H3
InChIKey
ICLPWWDUYMGKDZ-UHFFFAOYSA-N
Synonyms
443676-42-4
2AMINO4(13BENZODIOXOL5YL)6(13BENZODIOXOL5YLMETHYL)7METHYL5OXO4HPYRANO(32C)PYRIDINE3CARBONITRILE
2amino4(13benzodioxol5yl)6(13benzodioxol5ylmethyl)7methyl5oxo56dihydro4Hpyrano(32c)pyridine3carbonitrile
2amino4(benzo(d)(13)dioxol5yl)6(benzo(d)(13)dioxol5ylmethyl)7methyl5oxo56dihydro4Hpyrano(32c)pyridine3carbonitrile
4(2HBENZO(34D)13DIOXOLAN5YL)2AMINO6(2HBENZO(34D)13DIOXOLEN5YLMETHYL)7METHYL5OXO6HYDRO4HPYRANO(32C)PYRIDINE3CARBONITRILE
443676424
CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)N1CC5=CC6=C(C=C5)OCO6
InChI=1SC25H19N3O6c11362123(25(29)28(13)1014241719(714)32113017)22(16(926)24(27)3421)15351820(815)33123118h2822H101227H21H3
MFCD06596318
ZINC000002204022
ZINC000002204024

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Available files

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