Vitas-M small molecule compound

4-amino-7'-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
STK594561
SMILES N#CC1=C(N)N2CCc3c(C2=CC21C(=O)Nc1c2cccc1C)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/c1-14-4-2-5-17-22(14)28-24(30)25(17)12-19-16-11-21-20(31-8-3-9-32-21)10-15(16)6-7-29(19)23(27)18(25)13-26/h2,4-5,10-12H,3,6-9,27H2,1H3,(H,28,30)
InChIKey
PMGLYWIBIMJSQZ-UHFFFAOYSA-N
Synonyms
883957-08-2
4amino7methyl2oxo12671112hexahydro10Hspiro(14dioxepino(23g)pyrido(21a)isoquinoline23indole)3carbonitrile
4amino7methyl2oxo7101112tetrahydro6Hspiro((14)dioxepino(23g)pyrido(21a)isoquinoline23indoline)3carbonitrile
883957082
CC1=CC=CC2=C1NC(=O)C23C=C4C5=CC6=C(C=C5CCN4C(=C3C#N)N)OCCCO6
InChI=1SC25H22N4O3c1144251722(14)2824(30)25(17)121916112120(318393221)1015(16)6729(19)23(27)18(25)1326h2451012H36927H21H3(H2830)
MFCD07642404
ZINC000009130313
ZINC000009130314

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Available files

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