Vitas-M small molecule compound

2-amino-4-[3-ethoxy-4-(propan-2-yloxy)phenyl]-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile

Catalog ID
STL335002
SMILES CCOc1cc(ccc1OC(C)C)C1C2CCCC=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 C24H26N4O2 MW 402.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O2/c1-4-29-21-11-16(9-10-20(21)30-15(2)3)22-18-8-6-5-7-17(18)19(12-25)23(28)24(22,13-26)14-27/h7,9-11,15,18,22H,4-6,8,28H2,1-3H3
InChIKey
RPSOQBSHYZAPLJ-UHFFFAOYSA-N
Synonyms

(4S4aR)2amino4(3ethoxy4isopropoxyphenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
2AMINO4(3ETHOXY4(1METHYLETHOXY)PHENYL)4A567TETRAHYDRONAPHTHALENE133(4H)TRICARBONITRILE
2amino4(3ethoxy4(propan2yloxy)phenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
2AMINO4(3ETHOXY4PROPAN2YLOXYPHENYL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
CCOC1=C(C=CC(=C1)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)OC(C)C
CCOc1cc(ccc1OC(C)C)(C@@H)1(C@H)2CCCC=C2C(=C(C1(C#N)C#N)N)C#N
InChI=1SC24H26N4O2c1429211116(91020(21)3015(2)3)2218865717(18)19(1225)23(28)24(221326)1427h7911151822H46828H213H3
MFCD28032036
ZINC000000658813
ZINC000027329382

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Available files

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