Vitas-M small molecule compound
(4R,4aS)-2-amino-4-(3-methoxy-4-propoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Catalog ID
STK543543
SMILES CCCOc1ccc(cc1OC)[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/c1-3-10-29-19-9-8-15(11-20(19)28-2)21-17-7-5-4-6-16(17)18(12-24)22(27)23(21,13-25)14-26/h6,8-9,11,17,21H,3-5,7,10,27H2,1-2H3/t17-,21+/m1/s1InChIKey
UNTGFPMYGXNKLY-UTKZUKDTSA-NSynonyms
494791-95-6(4R4AS)2AMINO4(3METHOXY4PROPOXYPHENYL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
(4R4aS)2amino4(3methoxy4propoxyphenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
2AMINO4(3METHOXY4PROPOXYPHENYL)4A567TETRAHYDRO133(4H)NAPHTHALENETRICARBONITRILE
494791956
CCCOC1=C(C=C(C=C1)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)OC
CCCOc1ccc(cc1OC)(C@H)1(C@@H)2CCCC=C2C(=C(C1(C#N)C#N)N)C#N
InChI=1SC23H24N4O2c131029199815(1120(19)282)2117754616(17)18(1224)22(27)23(211325)1426h689111721H3571027H212H3t1721+m1s1
ZINC000019851602
ZINC19851602
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