Vitas-M small molecule compound

3-[(2Z)-6-hydroxy-3-oxo-2-(3,4,5-trifluorobenzylidene)-2,3-dihydro-1-benzofuran-7-yl]-3-[3-(pyridin-2-ylmethoxy)phenyl]propanoic acid

Catalog ID
STL493700
SMILES OC(=O)CC(c1c(O)ccc2c1O/C(=C\c1cc(F)c(c(c1)F)F)/C2=O)c1cccc(c1)OCc1ccccn1

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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 C30H20F3NO6 MW 547.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H20F3NO6/c31-22-10-16(11-23(32)28(22)33)12-25-29(38)20-7-8-24(35)27(30(20)40-25)21(14-26(36)37)17-4-3-6-19(13-17)39-15-18-5-1-2-9-34-18/h1-13,21,35H,14-15H2,(H,36,37)/b25-12-
InChIKey
ZXRGSNGFAOIGPQ-ROTLSHHCSA-N
Synonyms

(Z)3(6hydroxy3oxo2(345trifluorobenzylidene)23dihydrobenzofuran7yl)3(3(pyridin2ylmethoxy)phenyl)propanoicacid
3((2Z)6hydroxy3oxo2((345trifluorophenyl)methylidene)1benzofuran7yl)3(3(pyridin2ylmethoxy)phenyl)propanoicacid
3((2Z)6hydroxy3oxo2(345trifluorobenzylidene)23dihydro1benzofuran7yl)3(3(pyridin2ylmethoxy)phenyl)propanoicacid
C1=CC=NC(=C1)COC2=CC=CC(=C2)C(CC(=O)O)C3=C(C=CC4=C3OC(=CC5=CC(=C(C(=C5)F)F)F)C4=O)O
InChI=1SC30H20F3NO6c31221016(1123(32)28(22)33)122529(38)207824(35)27(30(20)4025)21(1426(36)37)1743619(1317)39151851293418h1132135H1415H2(H3637)b2512
MFCD29057530
OC(=O)CC(c1c(O)ccc2c1OC(=Cc1cc(F)c(c(c1)F)F)C2=O)c1cccc(c1)OCc1ccccn1
ZINC000253415184
ZINC000253415185

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Available files

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