Vitas-M small molecule compound

4,5-diphenyl-2-{[(E)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methylidene]amino}furan-3-carbonitrile

Catalog ID
STK725507
SMILES N#Cc1c(/N=C/N2CC3(CC2CC(C3)(C)C)C)oc(c1c1ccccc1)c1ccccc1

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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 C28H29N3O MW 423.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O/c1-27(2)14-22-15-28(3,17-27)18-31(22)19-30-26-23(16-29)24(20-10-6-4-7-11-20)25(32-26)21-12-8-5-9-13-21/h4-13,19,22H,14-15,17-18H2,1-3H3/b30-19+
InChIKey
AWSVALBOQMCMAS-NDZAJKAJSA-N
Synonyms
326020-86-4
(E)45diphenyl2(((133trimethyl6azabicyclo(321)octan6yl)methylene)amino)furan3carbonitrile
326020864
45diphenyl2(((E)(133trimethyl6azabicyclo(321)oct6yl)methylidene)amino)furan3carbonitrile
45diphenyl2((E)(335trimethyl7azabicyclo(321)octan7yl)methylideneamino)furan3carbonitrile
CC1(CC2CC(C1)(CN2C=NC3=C(C(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)C#N)C)C
InChI=1SC28H29N3Oc127(2)14221528(31727)1831(22)19302623(1629)24(20106471120)25(3226)21128591321h4131922H14151718H213H3b3019+
MFCD02699459
N#Cc1c(N=CN2CC3(CC2CC(C3)(C)C)C)oc(c1c1ccccc1)c1ccccc1
ZINC000100970565

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Available files

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