Vitas-M small molecule compound
3-chloro-6-(3,4-difluorophenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-1-carboxylic acid
Catalog ID
STK686301
SMILES Clc1cc2NC(c3ccc(c(c3)F)F)C3C(c2c(c1)C(=O)O)C1CCC3C1
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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 C21H18ClF2NO2 MW 389.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClF2NO2/c22-12-7-13(21(26)27)19-16(8-12)25-20(11-3-4-14(23)15(24)6-11)18-10-2-1-9(5-10)17(18)19/h3-4,6-10,17-18,20,25H,1-2,5H2,(H,26,27)InChIKey
NOBCPIABFOJRDO-UHFFFAOYSA-NSynonyms
3chloro6(34difluorophenyl)566a7891010aoctahydro710methanophenanthridine1carboxylicacid
C1CC2CC1C3C2C4=C(C=C(C=C4C(=O)O)Cl)NC3C5=CC(=C(C=C5)F)F
InChI=1SC21H18ClF2NO2c2212713(21(26)27)1916(812)2520(113414(23)15(24)611)1810219(510)17(18)19h3461017182025H125H2(H2627)
MFCD06015560
ZINC000217675924
ZINC000245256093
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