Vitas-M small molecule compound
2-amino-4-[5-methyl-4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK687146
SMILES N#CC1=C(N)N(c2ccc(cc2)C(F)(F)F)C2=C(C1c1sc(c(c1)CN1CCOCC1)C)C(=O)CCC2
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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 C27H27F3N4O2S MW 528.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27F3N4O2S/c1-16-17(15-33-9-11-36-12-10-33)13-23(37-16)24-20(14-31)26(32)34(21-3-2-4-22(35)25(21)24)19-7-5-18(6-8-19)27(28,29)30/h5-8,13,24H,2-4,9-12,15,32H2,1H3InChIKey
KCOREKZHGSQARH-UHFFFAOYSA-NSynonyms
2amino4(5methyl4(morpholin4ylmethyl)thiophen2yl)5oxo1(4(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino4(5methyl4(morpholin4ylmethyl)thiophen2yl)5oxo1(4(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
CC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)C(F)(F)F)N)C#N)CN5CCOCC5
InChI=1SC27H27F3N4O2Sc11617(153391136121033)1323(3716)2420(1431)26(32)34(2132422(35)25(21)24)197518(6819)27(2829)30h581324H249121532H21H3
MFCD06617589
ZINC000098008209
ZINC000098008210
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