Vitas-M small molecule compound

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

Catalog ID
STK956013
SMILES N#CC1=C(N)OC2=C(C1c1cc(COc3ccc(cc3C)Cl)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 C28H29ClN2O3 MW 477.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClN2O3/c1-15-8-16(2)20(10-18(15)14-33-23-7-6-19(29)9-17(23)3)25-21(13-30)27(31)34-24-12-28(4,5)11-22(32)26(24)25/h6-10,25H,11-12,14,31H2,1-5H3
InChIKey
WDGUCTLTBVQBLF-UHFFFAOYSA-N
Synonyms
438215-66-8
2amino4(5((4chloro2methylphenoxy)methyl)24dimethylphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(5((4CHLORO2METHYLPHENOXY)METHYL)24DIMETHYLPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
438215668
CC1=CC(=C(C=C1C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)COC4=C(C=C(C=C4)Cl)C)C
InChI=1SC28H29ClN2O3c115816(2)20(1018(15)1433237619(29)917(23)3)2521(1330)27(31)34241228(45)1122(32)26(24)25h61025H11121431H215H3
MFCD03074124
ZINC000002111157
ZINC000002111159

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Available files

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