Vitas-M small molecule compound
(5Z)-1-(3-chloro-4-methylphenyl)-5-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK175144
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(c(c2)Cl)C)cc(c1O)CC=C
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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 C23H21ClN2O5 MW 440.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O5/c1-4-6-15-9-14(11-19(20(15)27)31-5-2)10-17-21(28)25-23(30)26(22(17)29)16-8-7-13(3)18(24)12-16/h4,7-12,27H,1,5-6H2,2-3H3,(H,25,28,30)/b17-10-InChIKey
QNQCORWWTYWJOU-YVLHZVERSA-NSynonyms
(5Z)1(3CHLORO4METHYLPHENYL)5((3ETHOXY4HYDROXY5PROP2ENYLPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1(3CHLORO4METHYLPHENYL)5(3ETHOXY4HYDROXY5(PROP2EN1YL)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=CC(=CC(=C1O)CC=C)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(c(c2)Cl)C)cc(c1O)CC=C
InChI=1SC23H21ClN2O5c14615914(1119(20(15)27)3152)101721(28)2523(30)26(22(17)29)168713(3)18(24)1216h471227H156H223H3(H252830)b1710
MFCD03716069
ZINC000001140424
ZINC01140424
ZINC1140424
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