Vitas-M small molecule compound
(5Z)-3-(2-chlorophenyl)-5-{(2E)-3-[4-(dimethylamino)phenyl]-1-hydroxyprop-2-en-1-ylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STK571258
SMILES O=C1N=C(O)/C(=C(\C=C\c2ccc(cc2)N(C)C)/O)/C(=O)N1c1ccccc1Cl
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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 C21H18ClN3O4 MW 411.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O4/c1-24(2)14-10-7-13(8-11-14)9-12-17(26)18-19(27)23-21(29)25(20(18)28)16-6-4-3-5-15(16)22/h3-12,26H,1-2H3,(H,23,27,29)/b12-9+,18-17-InChIKey
ZUIDECWFDUILAI-RCBDGTOLSA-NSynonyms
(5Z)1(2chlorophenyl)5((E)3(4(dimethylamino)phenyl)1hydroxyprop2enylidene)13diazinane246trione
(5Z)3(2chlorophenyl)5((2E)3(4(dimethylamino)phenyl)1hydroxyprop2en1ylidene)6hydroxypyrimidine24(3H5H)dione
CN(C)C1=CC=C(C=C1)C=CC(=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3Cl)O
InChI=1SC21H18ClN3O4c124(2)1410713(81114)91217(26)1819(27)2321(29)25(20(18)28)16643515(16)22h31226H12H3(H232729)b129+1817
MFCD07795750
O=C1N=C(O)C(=C(C=Cc2ccc(cc2)N(C)C)O)C(=O)N1c1ccccc1Cl
ZINC000101375769
ZINC101375769
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