Vitas-M small molecule compound
(4S,4aR)-2-amino-6-tert-butyl-4-(3,4-diethoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Catalog ID
STK543118
SMILES CCOc1cc(ccc1OCC)[C@@H]1[C@H]2CC(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(C)(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 C27H32N4O2 MW 444.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O2/c1-6-32-22-11-8-17(12-23(22)33-7-2)24-20-13-18(26(3,4)5)9-10-19(20)21(14-28)25(31)27(24,15-29)16-30/h8,10-12,18,20,24H,6-7,9,13,31H2,1-5H3/t18?,20-,24+/m0/s1InChIKey
HUUWSLPHLZNUNY-XYJFARLGSA-NSynonyms
494792-04-0(4S4aR)2amino6(tertbutyl)4(34diethoxyphenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
(4S4aR)2amino6tertbutyl4(34diethoxyphenyl)4a567tetrahydro4Hnaphthalene133tricarbonitrile
(4S4aR)2amino6tertbutyl4(34diethoxyphenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
2AMINO6TERTBUTYL4(34DIETHOXYPHENYL)4A567TETRAHYDRO133(4H)NAPHTHALENETRICARBONITRILE
494792040
CCOC1=C(C=C(C=C1)C2C3CC(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(C)(C)C)OCC
CCOc1cc(ccc1OCC)(C@@H)1(C@H)2CC(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(C)(C)C
InChI=1SC27H32N4O2c16322211817(1223(22)3372)24201318(26(34)5)91019(20)21(1428)25(31)27(241529)1630h81012182024H6791331H215H3t18?2024+m0s1
MFCD18242053
ZINC000001301430
ZINC000019851720
Check stock
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Check stock on Vitas-MAvailable files
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