Vitas-M small molecule compound
2-amino-1-(4-chlorophenyl)-4-[2,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL435827
SMILES N#CC1=C(N)N(c2ccc(cc2)Cl)C2=C(C1c1cc(CN3CCOCC3)c(cc1C)C)C(=O)CC(C2)(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 C31H35ClN4O2 MW 531.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35ClN4O2/c1-19-13-20(2)24(14-21(19)18-35-9-11-38-12-10-35)28-25(17-33)30(34)36(23-7-5-22(32)6-8-23)26-15-31(3,4)16-27(37)29(26)28/h5-8,13-14,28H,9-12,15-16,18,34H2,1-4H3InChIKey
IHMWFSMZXBWBEW-UHFFFAOYSA-NSynonyms
2amino1(4chlorophenyl)4(24dimethyl5(morpholin4ylmethyl)phenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2amino1(4chlorophenyl)4(24dimethyl5(morpholin4ylmethyl)phenyl)77dimethyl5oxo68dihydro4Hquinoline3carbonitrile
CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)Cl)N)C#N)CN5CCOCC5)C
InChI=1SC31H35ClN4O2c1191320(2)24(1421(19)183591138121035)2825(1733)30(34)36(237522(32)6823)261531(34)1627(37)29(26)28h58131428H91215161834H214H3
MFCD06147648
ZINC000066089577
ZINC000066089578
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