Vitas-M small molecule compound
2-amino-4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL173559
SMILES COc1ccc(cc1)OCc1ccc(cc1OC)C1C(=C(N)OC2=C1C(=O)CC(C2)(C)C)C#N
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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 C27H28N2O5 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5/c1-27(2)12-21(30)25-23(13-27)34-26(29)20(14-28)24(25)16-5-6-17(22(11-16)32-4)15-33-19-9-7-18(31-3)8-10-19/h5-11,24H,12-13,15,29H2,1-4H3InChIKey
CBEBLAMGJZZFOP-UHFFFAOYSA-NSynonyms
445031-79-82AMINO4(3METHOXY4((4METHOXYPHENOXY)METHYL)PHENYL)77DIMETHYL5OXO4H678TRIHYDROCHROMENE3CARBONITRILE
2amino4(3methoxy4((4methoxyphenoxy)methyl)phenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(3METHOXY4((4METHOXYPHENOXY)METHYL)PHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
445031798
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)COC4=CC=C(C=C4)OC)OC)C(=O)C1)C
InChI=1SC27H28N2O5c127(2)1221(30)2523(1327)3426(29)20(1428)24(25)165617(22(1116)324)1533199718(313)81019h51124H12131529H214H3
MFCD02175848
ZINC000000648562
ZINC000000648564
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