Vitas-M small molecule compound
2-amino-4-[5-methyl-4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK687145
SMILES N#CC1=C(N)N(C2=C(C1c1sc(c(c1)CN1CCOCC1)C)C(=O)CCC2)c1ccccc1C(F)(F)F
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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)24-18(14-31)26(32)34(21-7-4-8-22(35)25(21)24)20-6-3-2-5-19(20)27(28,29)30/h2-3,5-6,13,24H,4,7-12,15,32H2,1H3InChIKey
RDTZVFNOEGVYLO-UHFFFAOYSA-NSynonyms
2amino4(5methyl4(morpholin4ylmethyl)thiophen2yl)5oxo1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino4(5methyl4(morpholin4ylmethyl)thiophen2yl)5oxo1(2(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
CC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4C(F)(F)F)N)C#N)CN5CCOCC5
InChI=1SC27H27F3N4O2Sc11617(153391136121033)1323(3716)2418(1431)26(32)34(2174822(35)25(21)24)20632519(20)27(2829)30h23561324H47121532H21H3
MFCD06617588
ZINC000098008207
ZINC000098008208
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