Vitas-M small molecule compound

5'-amino-7a-hydroxy-3a-methyl-2,2'-dioxo-1,1',2,2',3a,4,5,6,7,7a-decahydrospiro[indole-3,3'-pyrrole]-4'-carbonitrile

Catalog ID
STL434000
SMILES N#CC1=C(N)NC(=O)C21C(=O)NC1(C2(C)CCCC1)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 C13H16N4O3 MW 276.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4O3/c1-11-4-2-3-5-12(11,20)17-10(19)13(11)7(6-14)8(15)16-9(13)18/h20H,2-5,15H2,1H3,(H,16,18)(H,17,19)
InChIKey
BFMIBMWCULQSAE-UHFFFAOYSA-N
Synonyms

2amino7ahydroxy3amethyl25dioxospiro(1Hpyrrole434567tetrahydro1Hindole)3carbonitrile
5amino7ahydroxy3amethyl22dioxo11223a45677adecahydrospiro(indole33pyrrole)4carbonitrile
CC12CCCCC1(NC(=O)C23C(=C(NC3=O)N)C#N)O
InChI=1SC13H16N4O3c111423512(1120)1710(19)13(11)7(614)8(15)169(13)18h20H2515H21H3(H1618)(H1719)
MFCD26098301
ZINC000100252905
ZINC000169378355

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Available files

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