Vitas-M small molecule compound
2-chloro-6-[3-(trifluoromethyl)phenyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid
Catalog ID
STK686341
SMILES Clc1cc(C(=O)O)c2c(c1)C1C3CCC(C1C(N2)c1cccc(c1)C(F)(F)F)C3
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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 C22H19ClF3NO2 MW 421.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClF3NO2/c23-14-8-15-17-10-4-5-11(6-10)18(17)19(27-20(15)16(9-14)21(28)29)12-2-1-3-13(7-12)22(24,25)26/h1-3,7-11,17-19,27H,4-6H2,(H,28,29)InChIKey
RLJHMEIKBAFPRX-UHFFFAOYSA-NSynonyms
2chloro6(3(trifluoromethyl)phenyl)566a7891010aoctahydro710methanophenanthridine4carboxylicacid
C1CC2CC1C3C2C4=C(C(=CC(=C4)Cl)C(=O)O)NC3C5=CC(=CC=C5)C(F)(F)F
InChI=1SC22H19ClF3NO2c231481517104511(610)18(17)19(2720(15)16(914)21(28)29)1221313(712)22(2425)26h13711171927H46H2(H2829)
MFCD06015621
ZINC000245256558
ZINC000245256565
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