Vitas-M small molecule compound

4-amino-5'-methyl-2'-oxo-1',2',6,7,11,12-hexahydro-10H-spiro[1,4-dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-2,3'-indole]-3-carbonitrile

Catalog ID
STK571194
SMILES N#CC1=C(N)N2CCc3c(C2=CC21C(=O)Nc1c2cc(C)cc1)cc1c(c3)OCCCO1

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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 C25H22N4O3 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O3/c1-14-3-4-19-17(9-14)25(24(30)28-19)12-20-16-11-22-21(31-7-2-8-32-22)10-15(16)5-6-29(20)23(27)18(25)13-26/h3-4,9-12H,2,5-8,27H2,1H3,(H,28,30)
InChIKey
SNILHRWLAPLYFM-UHFFFAOYSA-N
Synonyms
883954-31-2
4amino5methyl2oxo12671112hexahydro10Hspiro(14dioxepino(23g)pyrido(21a)isoquinoline23indole)3carbonitrile
4amino5methyl2oxo7101112tetrahydro6Hspiro((14)dioxepino(23g)pyrido(21a)isoquinoline23indoline)3carbonitrile
883954312
CC1=CC2=C(C=C1)NC(=O)C23C=C4C5=CC6=C(C=C5CCN4C(=C3C#N)N)OCCCO6
InChI=1SC25H22N4O3c114341917(914)25(24(30)2819)122016112221(317283222)1015(16)5629(20)23(27)18(25)1326h34912H25827H21H3(H2830)
MFCD07639572
ZINC000009129022
ZINC000009129024

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Available files

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