Vitas-M small molecule compound

2-amino-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK780283
SMILES N#CC1=C(N)N(C2=C(C1c1scc(c1)CN1CCOCC1)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 C26H25F3N4O2S MW 514.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25F3N4O2S/c27-26(28,29)18-4-1-2-5-19(18)33-20-6-3-7-21(34)24(20)23(17(13-30)25(33)31)22-12-16(15-36-22)14-32-8-10-35-11-9-32/h1-2,4-5,12,15,23H,3,6-11,14,31H2
InChIKey
JGPGKWAERFNHBN-UHFFFAOYSA-N
Synonyms

2amino4(4(morpholin4ylmethyl)thiophen2yl)5oxo1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino4(4(morpholin4ylmethyl)thiophen2yl)5oxo1(2(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=CC=C3C(F)(F)F)N)C#N)C4=CC(=CS4)CN5CCOCC5)C(=O)C1
InChI=1SC26H25F3N4O2Sc2726(2829)18412519(18)332063721(34)24(20)23(17(1330)25(33)31)221216(153622)14328103511932h1245121523H36111431H2
MFCD05860071
ZINC000012375400
ZINC000012375401

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Available files

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