Vitas-M small molecule compound
2-amino-1-(2,6-difluorophenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK768776
SMILES CCc1ccc(s1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1c(F)cccc1F)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 C24H23F2N3OS MW 439.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23F2N3OS/c1-4-13-8-9-19(31-13)20-14(12-27)23(28)29(22-15(25)6-5-7-16(22)26)17-10-24(2,3)11-18(30)21(17)20/h5-9,20H,4,10-11,28H2,1-3H3InChIKey
TXOOJERIRCUBLR-UHFFFAOYSA-NSynonyms
2amino1(26difluorophenyl)4(5ethylthiophen2yl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(26DIFLUOROPHENYL)4(5ETHYLTHIOPHEN2YL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CCC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=CC=C4F)F)N)C#N
InChI=1SC24H23F2N3OSc14138919(3113)2014(1227)23(28)29(2215(25)65716(22)26)171024(23)1118(30)21(17)20h5920H4101128H213H3
MFCD03308123
ZINC000000720260
ZINC000003619676
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