Vitas-M small molecule compound

3-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-7-yl]-3-(pyridin-3-yl)propanoic acid

Catalog ID
STL549205
SMILES OC(=O)CC(c1c(O)ccc2c1O/C(=C\c1ccc3c(c1)OCCO3)/C2=O)c1cccnc1

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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 C25H19NO7 MW 445.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19NO7/c27-18-5-4-16-24(30)21(11-14-3-6-19-20(10-14)32-9-8-31-19)33-25(16)23(18)17(12-22(28)29)15-2-1-7-26-13-15/h1-7,10-11,13,17,27H,8-9,12H2,(H,28,29)/b21-11-
InChIKey
GCYGIKPBJWPCAY-NHDPSOOVSA-N
Synonyms

(Z)3(2((23DIHYDROBENZO(B)(14)DIOXIN6YL)METHYLENE)6HYDROXY3OXO23DIHYDROBENZOFURAN7YL)3(PYRIDIN3YL)PROPANOICACID
110206908
3((2~(Z))2(23dihydro14benzodioxin6ylmethylidene)6hydroxy3oxo1benzofuran7yl)3pyridin3ylpropanoicacid
3((2Z)2(23dihydro14benzodioxin6ylmethylidene)6hydroxy3oxo23dihydro1benzofuran7yl)3(pyridin3yl)propanoicacid
InChI=1SC25H19NO7c2718541624(30)21(1114361920(1014)32983119)3325(16)23(18)17(1222(28)29)15217261315h171011131727H8912H2(H2829)b2111
MFCD29055904
OC(=O)CC(c1c(O)ccc2c1OC(=Cc1ccc3c(c1)OCCO3)C2=O)c1cccnc1
ZINC000253402187
ZINC001081796572

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Available files

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