Vitas-M small molecule compound
2-amino-4-{4-[(3-fluorobenzyl)oxy]-3-methoxyphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Catalog ID
STK959530
SMILES N#CC1=C(N)C(C(C2C1=CCCC2)c1ccc(c(c1)OC)OCc1cccc(c1)F)(C#N)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 C27H23FN4O2 MW 454.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23FN4O2/c1-33-24-12-18(9-10-23(24)34-14-17-5-4-6-19(28)11-17)25-21-8-3-2-7-20(21)22(13-29)26(32)27(25,15-30)16-31/h4-7,9-12,21,25H,2-3,8,14,32H2,1H3InChIKey
JYHVMBPVCLDVEK-UHFFFAOYSA-NSynonyms
398136-27-12AMINO4(4((3FLUOROBENZYL)OXY)3METHOXYPHENYL)4A567TETRAHYDRO133(4H)NAPHTHALENETRICARBONITRILE
2amino4(4((3fluorobenzyl)oxy)3methoxyphenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
2AMINO4(4((3FLUOROPHENYL)METHOXY)3METHOXYPHENYL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
398136271
COC1=C(C=CC(=C1)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)OCC4=CC(=CC=C4)F
InChI=1SC27H23FN4O2c133241218(91023(24)34141754619(28)1117)2521832720(21)22(1329)26(32)27(251530)1631h479122125H2381432H21H3
MFCD02175370
ZINC000000716158
ZINC000000716161
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