Vitas-M small molecule compound
2-amino-4-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Catalog ID
STK332829
SMILES N#CC1=C(N)C(C(C2C1=CCCC2)c1ccc(c(c1)COc1ccc(cc1F)F)OC)(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 C27H22F2N4O2 MW 472.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22F2N4O2/c1-34-23-8-6-16(10-17(23)13-35-24-9-7-18(28)11-22(24)29)25-20-5-3-2-4-19(20)21(12-30)26(33)27(25,14-31)15-32/h4,6-11,20,25H,2-3,5,13,33H2,1H3InChIKey
ZLWJFBBPVXPLIN-UHFFFAOYSA-NSynonyms
2AMINO4(3((24DIFLUOROPHENOXY)METHYL)4METHOXYPHENYL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
2amino4(3((24difluorophenoxy)methyl)4methoxyphenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
COC1=C(C=C(C=C1)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)COC4=C(C=C(C=C4)F)F
InChI=1SC27H22F2N4O2c134238616(1017(23)1335249718(28)1122(24)29)2520532419(20)21(1230)26(33)27(251431)1532h46112025H2351333H21H3
MFCD01451827
ZINC000023375183
ZINC000023375193
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