Vitas-M small molecule compound
2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl 2-fluorobenzoate (non-preferred name)
Catalog ID
STK275053
SMILES O=C1N(c2ccccc2OC(=O)c2ccccc2F)C(=O)C2C1C1c3c(C2c2c1cccc2)cccc3
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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 C31H20FNO4 MW 489.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H20FNO4/c32-22-14-6-5-13-21(22)31(36)37-24-16-8-7-15-23(24)33-29(34)27-25-17-9-1-2-10-18(17)26(28(27)30(33)35)20-12-4-3-11-19(20)25/h1-16,25-28HInChIKey
YAIWKEZCRREMTF-UHFFFAOYSA-NSynonyms
2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)phenyl2fluorobenzoate(nonpreferredname)
C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=CC=C6OC(=O)C7=CC=CC=C7F
InChI=1SC31H20FNO4c322214651321(22)31(36)372416871523(24)3329(34)2725179121018(17)26(28(27)30(33)35)2012431119(20)25h1162528H
MFCD03186753
ZINC000001162099
ZINC000018148896
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