Vitas-M small molecule compound
(5Z)-6-hydroxy-5-[(2E)-1-hydroxy-3-(1H-indol-3-yl)prop-2-en-1-ylidene]-3-(2-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK573778
SMILES COc1ccccc1N1C(=O)N=C(/C(=C(\C=C\c2c[nH]c3c2cccc3)/O)/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 C22H17N3O5 MW 403.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O5/c1-30-18-9-5-4-8-16(18)25-21(28)19(20(27)24-22(25)29)17(26)11-10-13-12-23-15-7-3-2-6-14(13)15/h2-12,23,26H,1H3,(H,24,27,29)/b11-10+,19-17-InChIKey
CTEVERMZFREHRJ-FVZMSGPBSA-NSynonyms
(5Z)5((E)1hydroxy3(1Hindol3yl)prop2enylidene)1(2methoxyphenyl)13diazinane246trione
(5Z)6hydroxy5((2E)1hydroxy3(1Hindol3yl)prop2en1ylidene)3(2methoxyphenyl)pyrimidine24(3H5H)dione
COC1=CC=CC=C1N2C(=O)C(=C(C=CC3=CNC4=CC=CC=C43)O)C(=O)NC2=O
COc1ccccc1N1C(=O)N=C(C(=C(C=Cc2c(nH)c3c2cccc3)O)C1=O)O
InChI=1SC22H17N3O5c13018954816(18)2521(28)19(20(27)2422(25)29)17(26)111013122315732614(13)15h2122326H1H3(H242729)b1110+1917
MFCD07798511
ZINC000101369802
ZINC101369802
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