Vitas-M small molecule compound

2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Catalog ID
STL173047
SMILES N#CC1=C(N)OC2=C(C1c1ccc(c(c1)OC)OCc1cccc(c1)C(F)(F)F)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 C27H25F3N2O4 MW 498.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25F3N2O4/c1-26(2)11-19(33)24-22(12-26)36-25(32)18(13-31)23(24)16-7-8-20(21(10-16)34-3)35-14-15-5-4-6-17(9-15)27(28,29)30/h4-10,23H,11-12,14,32H2,1-3H3
InChIKey
VOJOLCXPYUUJIP-UHFFFAOYSA-N
Synonyms
380647-25-6
2amino4(3methoxy4((3(trifluoromethyl)benzyl)oxy)phenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(3METHOXY4((3(TRIFLUOROMETHYL)PHENYL)METHOXY)PHENYL)77DIMETHYL5OXO4H678TRIHYDROCHROMENE3CARBONITRILE
2AMINO4(3METHOXY4((3(TRIFLUOROMETHYL)PHENYL)METHOXY)PHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
380647256
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OCC4=CC(=CC=C4)C(F)(F)F)OC)C(=O)C1)C
InChI=1SC27H25F3N2O4c126(2)1119(33)2422(1226)3625(32)18(1331)23(24)167820(21(1016)343)35141554617(915)27(2829)30h41023H11121432H213H3
MFCD02175133
ZINC000000716002
ZINC000000716003

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Available files

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