Vitas-M small molecule compound

4-amino-1-(4-methoxyphenyl)-1,6,7,8,9,9a-hexahydro-2H-benzo[7]annulene-2,2,3-tricarbonitrile

Catalog ID
STL322171
SMILES N#CC1=C(N)C2=CCCCCC2C(C1(C#N)C#N)c1ccc(cc1)OC

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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 C21H20N4O MW 344.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O/c1-26-15-9-7-14(8-10-15)19-16-5-3-2-4-6-17(16)20(25)18(11-22)21(19,12-23)13-24/h6-10,16,19H,2-5,25H2,1H3
InChIKey
LFCXJLLCFZUGQB-UHFFFAOYSA-N
Synonyms

(1R9aS)4amino1(4methoxyphenyl)7899atetrahydro1Hbenzo(7)annulene223(6H)tricarbonitrile
4amino1(4methoxyphenyl)167899ahexahydro2Hbenzo(7)annulene223tricarbonitrile
4amino1(4methoxyphenyl)167899ahexahydrobenzo(7)annulene223tricarbonitrile
COC1=CC=C(C=C1)C2C3CCCCC=C3C(=C(C2(C#N)C#N)C#N)N
InChI=1SC21H20N4Oc126159714(81015)19165324617(16)20(25)18(1122)21(191223)1324h6101619H2525H21H3
MFCD28029671
N#CC1=C(N)C2=CCCCC(C@H)2(C@@H)(C1(C#N)C#N)c1ccc(cc1)OC
ZINC000004730320
ZINC000006160538

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Available files

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