Vitas-M small molecule compound

(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione

Catalog ID
STK563077
SMILES Fc1ccc(cc1)N1C(=O)N=C(/C(=C/c2ccc3c(c2)OCO3)/C1=O)O

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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 C18H11FN2O5 MW 354.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11FN2O5/c19-11-2-4-12(5-3-11)21-17(23)13(16(22)20-18(21)24)7-10-1-6-14-15(8-10)26-9-25-14/h1-8H,9H2,(H,20,22,24)/b13-7-
InChIKey
IHSFPUXDLCDFJM-QPEQYQDCSA-N
Synonyms
372506-68-8
(5Z)5(13BENZODIOXOL5YLMETHYLIDENE)1(4FLUOROPHENYL)13DIAZINANE246TRIONE
(5Z)5(13benzodioxol5ylmethylidene)3(4fluorophenyl)6hydroxypyrimidine24(3H5H)dione
372506688
C1OC2=C(O1)C=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F
Fc1ccc(cc1)N1C(=O)N=C(C(=Cc2ccc3c(c2)OCO3)C1=O)O
InChI=1SC18H11FN2O5c19112412(5311)2117(23)13(16(22)2018(21)24)710161415(810)2692514h18H9H2(H202224)b137
MFCD03808970
ZINC000004859636
ZINC04859636
ZINC17146717
ZINC4859636

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Available files

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