Vitas-M small molecule compound

3-({5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl}carbonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

Catalog ID
STK948415
SMILES O=C(N1CC2CC(C1)c1n(C2)c(=O)ccc1)c1ccc(o1)c1cc(ccc1Cl)C(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 C23H18ClF3N2O3 MW 462.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClF3N2O3/c24-17-5-4-15(23(25,26)27)9-16(17)19-6-7-20(32-19)22(31)28-10-13-8-14(12-28)18-2-1-3-21(30)29(18)11-13/h1-7,9,13-14H,8,10-12H2
InChIKey
BKHVCYWSAVRDQA-UHFFFAOYSA-N
Synonyms
951896-24-5
(1R5S)3(5(2chloro5(trifluoromethyl)phenyl)furan2carbonyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
3((5(2chloro5(trifluoromethyl)phenyl)furan2yl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
951896245
C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)C4=CC=C(O4)C5=C(C=CC(=C5)C(F)(F)F)Cl
InChI=1SC23H18ClF3N2O3c24175415(23(2526)27)916(17)196720(3219)22(31)281013814(1228)1821321(30)29(18)1113h1791314H81012H2
MFCD09983543
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)c1ccc(o1)c1cc(ccc1Cl)C(F)(F)F
ZINC000011692850

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Available files

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