Vitas-M small molecule compound
(4S,4aR)-2-amino-4-(3,4-diethoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Catalog ID
STK541786
SMILES CCOc1cc(ccc1OCC)[C@@H]1[C@H]2CCCC=C2C(=C(C1(C#N)C#N)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 C23H24N4O2 MW 388.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O2/c1-3-28-19-10-9-15(11-20(19)29-4-2)21-17-8-6-5-7-16(17)18(12-24)22(27)23(21,13-25)14-26/h7,9-11,17,21H,3-6,8,27H2,1-2H3/t17-,21+/m0/s1InChIKey
SFDQKDGOVHWSOR-LAUBAEHRSA-NSynonyms
494792-05-1(4S4AR)2AMINO4(34DIETHOXYPHENYL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
(4S4aR)2amino4(34diethoxyphenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
2AMINO4(34DIETHOXYPHENYL)4A567TETRAHYDRO133(4H)NAPHTHALENETRICARBONITRILE
494792051
CCOC1=C(C=C(C=C1)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)OCC
CCOc1cc(ccc1OCC)(C@@H)1(C@H)2CCCC=C2C(=C(C1(C#N)C#N)N)C#N
InChI=1SC23H24N4O2c13281910915(1120(19)2942)2117865716(17)18(1224)22(27)23(211325)1426h79111721H36827H212H3t1721+m0s1
MFCD18241935
ZINC000019851723
ZINC19851723
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