Vitas-M small molecule compound

methyl 4-[7-fluoro-2-(4-methylbenzyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate

Catalog ID
STK907540
SMILES COC(=O)c1ccc(cc1)C1N(Cc2ccc(cc2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)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 C27H20FNO5 MW 457.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20FNO5/c1-15-3-5-16(6-4-15)14-29-23(17-7-9-18(10-8-17)27(32)33-2)22-24(30)20-13-19(28)11-12-21(20)34-25(22)26(29)31/h3-13,23H,14H2,1-2H3
InChIKey
RDZUCLLXJFZYTO-UHFFFAOYSA-N
Synonyms
879956-60-2
879956602
CC1=CC=C(C=C1)CN2C(C3=C(C2=O)OC4=C(C3=O)C=C(C=C4)F)C5=CC=C(C=C5)C(=O)OC
InChI=1SC27H20FNO5c1153516(6415)142923(177918(10817)27(32)332)2224(30)201319(28)111221(20)3425(22)26(29)31h31323H14H212H3
methyl4(7fluoro2((4methylphenyl)methyl)39dioxo1Hchromeno(23c)pyrrol1yl)benzoate
methyl4(7fluoro2(4methylbenzyl)39dioxo1239tetrahydrochromeno(23c)pyrrol1yl)benzoate
MFCD06646985
ZINC000016750986
ZINC000016750988

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Available files

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