Vitas-M small molecule compound
(5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]propylidene}-3-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STL050510
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O)/NCc1ccc2c(c1)OCO2
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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 C21H18ClN3O5 MW 427.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O5/c1-2-15(23-10-12-3-8-16-17(9-12)30-11-29-16)18-19(26)24-21(28)25(20(18)27)14-6-4-13(22)5-7-14/h3-9,23H,2,10-11H2,1H3,(H,24,26,28)/b18-15+InChIKey
KIYUTTGJXTZAQL-OBGWFSINSA-NSynonyms
(5E)5(1((13benzodioxol5ylmethyl)amino)propylidene)3(4chlorophenyl)6hydroxypyrimidine24(3H5H)dione
(5E)5(1(13benzodioxol5ylmethylamino)propylidene)1(4chlorophenyl)13diazinane246trione
CCC(=C1C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O)NCc1ccc2c(c1)OCO2
CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl)NCC3=CC4=C(C=C3)OCO4
InChI=1SC21H18ClN3O5c1215(231012381617(912)30112916)1819(26)2421(28)25(20(18)27)146413(22)5714h3923H21011H21H3(H242628)b1815+
MFCD05724828
ZINC000001274795
ZINC01274795
ZINC1274795
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