Vitas-M small molecule compound
2-amino-1-(2,6-difluorophenyl)-4-(5-ethylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK768775
SMILES CCc1ccc(s1)C1C(=C(N)N(C2=C1C(=O)CCC2)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 C22H19F2N3OS MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19F2N3OS/c1-2-12-9-10-18(29-12)19-13(11-25)22(26)27(16-7-4-8-17(28)20(16)19)21-14(23)5-3-6-15(21)24/h3,5-6,9-10,19H,2,4,7-8,26H2,1H3InChIKey
JRTAZGOFFRCWJU-UHFFFAOYSA-NSynonyms
2amino1(26difluorophenyl)4(5ethylthiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(26difluorophenyl)4(5ethylthiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
CCC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=CC=C4F)F)N)C#N
InChI=1SC22H19F2N3OSc121291018(2912)1913(1125)22(26)27(1674817(28)20(16)19)2114(23)53615(21)24h35691019H247826H21H3
MFCD03307949
ZINC000000720256
ZINC000000720257
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