Vitas-M small molecule compound

17-[4-chloro-3-(trifluoromethyl)phenyl]-8-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde (non-preferred name)

Catalog ID
STK759129
SMILES O=CC12C3C(=O)N(C(=O)C3C(c3c1cccc3)(c1c2cccc1)C)c1ccc(c(c1)C(F)(F)F)Cl

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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 C27H17ClF3NO3 MW 495.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17ClF3NO3/c1-25-15-6-2-4-8-17(15)26(13-33,18-9-5-3-7-16(18)25)22-21(25)23(34)32(24(22)35)14-10-11-20(28)19(12-14)27(29,30)31/h2-13,21-22H,1H3
InChIKey
QNFZLXMQWXDJRV-UHFFFAOYSA-N
Synonyms

17(4chloro3(trifluoromethyl)phenyl)8methyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1carbaldehyde(nonpreferredname)
CC12C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)C(F)(F)F)C(C5=CC=CC=C51)(C6=CC=CC=C26)C=O
InChI=1SC27H17ClF3NO3c12515624817(15)26(133318953716(18)25)2221(25)23(34)32(24(22)35)14101120(28)19(1214)27(2930)31h2132122H1H3
MFCD01460787
ZINC000000707379
ZINC000000707382

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Available files

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