Vitas-M small molecule compound

2-amino-6-tert-butyl-4-(3-chlorophenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile

Catalog ID
STK671317
SMILES N#CC1=C(N)C(C(C2C1=CCC(C2)C(C)(C)C)c1cccc(c1)Cl)(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 C23H23ClN4 MW 390.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN4/c1-22(2,3)15-7-8-17-18(10-15)20(14-5-4-6-16(24)9-14)23(12-26,13-27)21(28)19(17)11-25/h4-6,8-9,15,18,20H,7,10,28H2,1-3H3
InChIKey
ZVSPQSLUGOLEMO-UHFFFAOYSA-N
Synonyms

2AMINO6TERTBUTYL4(3CHLOROPHENYL)4A567TETRAHYDRO4HNAPHTHALENE133TRICARBONITRILE
2AMINO6TERTBUTYL4(3CHLOROPHENYL)4A567TETRAHYDRONAPHTHALENE133(4H)TRICARBONITRILE
CC(C)(C)C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)Cl
InChI=1SC23H23ClN4c122(23)15781718(1015)20(1454616(24)914)23(12261327)21(28)19(17)1125h4689151820H71028H213H3
MFCD00747900
ZINC000004354941
ZINC000015134498

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Available files

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