Vitas-M small molecule compound
(5Z)-1-benzyl-5-[5-(3-hydroxy-4-methoxyphenyl)pyrazolidin-3-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK598123
SMILES COc1ccc(cc1O)C1NN/C(=C\2/C(=O)NC(=O)N(C2=O)Cc2ccccc2)/C1
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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 C21H20N4O5 MW 408.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O5/c1-30-17-8-7-13(9-16(17)26)14-10-15(24-23-14)18-19(27)22-21(29)25(20(18)28)11-12-5-3-2-4-6-12/h2-9,14,23-24,26H,10-11H2,1H3,(H,22,27,29)/b18-15-InChIKey
ATNNPWZVIBZFLN-SDXDJHTJSA-NSynonyms
(5Z)1benzyl5(5(3hydroxy4methoxyphenyl)pyrazolidin3ylidene)13diazinane246trione
(5Z)1benzyl5(5(3hydroxy4methoxyphenyl)pyrazolidin3ylidene)pyrimidine246(1H3H5H)trione
(Z)1benzyl5(5(3hydroxy4methoxyphenyl)pyrazolidin3ylidene)pyrimidine246(1H3H5H)trione
COC1=C(C=C(C=C1)C2CC(=C3C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4)NN2)O
COc1ccc(cc1O)C1NNC(=C2C(=O)NC(=O)N(C2=O)Cc2ccccc2)C1
InChI=1SC21H20N4O5c130178713(916(17)26)141015(242314)1819(27)2221(29)25(20(18)28)11125324612h2914232426H1011H21H3(H222729)b1815
MFCD07640087
ZINC000009044016
ZINC000009044019
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