Vitas-M small molecule compound
2-amino-4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK756256
SMILES CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1ccc(cc1)OC)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 C27H29N3O3 MW 443.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3/c1-5-33-20-10-6-17(7-11-20)24-21(16-28)26(29)30(18-8-12-19(32-4)13-9-18)22-14-27(2,3)15-23(31)25(22)24/h6-13,24H,5,14-15,29H2,1-4H3InChIKey
NTXYNQBTCXSDCE-UHFFFAOYSA-NSynonyms
2amino4(4ethoxyphenyl)1(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(4ETHOXYPHENYL)1(4METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)OC)N)C#N
InChI=1SC27H29N3O3c15332010617(71120)2421(1628)26(29)30(1881219(324)13918)221427(23)1523(31)25(22)24h61324H5141529H214H3
MFCD01239433
ZINC000001058651
ZINC000001058653
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