Vitas-M small molecule compound

(5E)-6-hydroxy-5-(1-{[3-(1H-imidazol-1-yl)propyl]amino}propylidene)-3-(4-methylphenyl)pyrimidine-2,4(3H,5H)-dione

Catalog ID
STL048326
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)/NCCCn1cncc1

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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 C20H23N5O3 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O3/c1-3-16(22-9-4-11-24-12-10-21-13-24)17-18(26)23-20(28)25(19(17)27)15-7-5-14(2)6-8-15/h5-8,10,12-13,22H,3-4,9,11H2,1-2H3,(H,23,26,28)/b17-16+
InChIKey
PVAXOPNTALOJRL-WUKNDPDISA-N
Synonyms

(5E)5(1(3IMIDAZOL1YLPROPYLAMINO)PROPYLIDENE)1(4METHYLPHENYL)13DIAZINANE246TRIONE
(5E)6hydroxy5(1((3(1Himidazol1yl)propyl)amino)propylidene)3(4methylphenyl)pyrimidine24(3H5H)dione
CCC(=C1C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)NCCCn1cncc1
CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)C)NCCCN3C=CN=C3
InChI=1SC20H23N5O3c1316(229411241210211324)1718(26)2320(28)25(19(17)27)157514(2)6815h5810121322H34911H212H3(H232628)b1716+
MFCD05738714
ZINC000020331557
ZINC20331557

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Available files

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