Vitas-M small molecule compound

2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Catalog ID
STL175659
SMILES N#CC1=C(N)OC2=C(C1c1cc(COc3ccccc3Br)c(cc1C)C)C(=O)CC(C2)(C)C

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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 C27H27BrN2O3 MW 507.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrN2O3/c1-15-9-16(2)18(10-17(15)14-32-22-8-6-5-7-20(22)28)24-19(13-29)26(30)33-23-12-27(3,4)11-21(31)25(23)24/h5-10,24H,11-12,14,30H2,1-4H3
InChIKey
SXDUANYIVJTXFZ-UHFFFAOYSA-N
Synonyms
438217-29-9
2amino4(5((2bromophenoxy)methyl)24dimethylphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(5((2BROMOPHENOXY)METHYL)24DIMETHYLPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
438217299
CC1=CC(=C(C=C1C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)COC4=CC=CC=C4Br)C
InChI=1SC27H27BrN2O3c115916(2)18(1017(15)143222865720(22)28)2419(1329)26(30)33231227(34)1121(31)25(23)24h51024H11121430H214H3
MFCD03074249
ZINC000002111299
ZINC000002111301

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Available files

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