Vitas-M small molecule compound
2-amino-1-(2,6-difluorophenyl)-4-(3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK768757
SMILES COc1cccc(c1)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 C23H19F2N3O2 MW 407.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19F2N3O2/c1-30-14-6-2-5-13(11-14)20-15(12-26)23(27)28(18-9-4-10-19(29)21(18)20)22-16(24)7-3-8-17(22)25/h2-3,5-8,11,20H,4,9-10,27H2,1H3InChIKey
PQBDWJNRXFZZOM-UHFFFAOYSA-NSynonyms
2amino1(26difluorophenyl)4(3methoxyphenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(26difluorophenyl)4(3methoxyphenyl)5oxo4678tetrahydroquinoline3carbonitrile
COC1=CC=CC(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=CC=C4F)F)N)C#N
InChI=1SC23H19F2N3O2c1301462513(1114)2015(1226)23(27)28(18941019(29)21(18)20)2216(24)73817(22)25h23581120H491027H21H3
MFCD03307994
ZINC000000720222
ZINC000000720223
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