Vitas-M small molecule compound
(5Z)-5-(3-chloro-4-ethoxybenzylidene)-1-(2,3-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197593
SMILES CCOc1ccc(cc1Cl)/C=C\1/C(=O)NC(=S)N(C1=O)c1cccc(c1C)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 C21H19ClN2O3S MW 414.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O3S/c1-4-27-18-9-8-14(11-16(18)22)10-15-19(25)23-21(28)24(20(15)26)17-7-5-6-12(2)13(17)3/h5-11H,4H2,1-3H3,(H,23,25,28)/b15-10-InChIKey
QUZCDTRMAZRGHD-GDNBJRDFSA-NSynonyms
(5Z)5((3CHLORO4ETHOXYPHENYL)METHYLIDENE)1(23DIMETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(3CHLORO4ETHOXYBENZYLIDENE)1(23DIMETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3C)C)Cl
CCOc1ccc(cc1Cl)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1C)C
InChI=1SC21H19ClN2O3Sc1427189814(1116(18)22)101519(25)2321(28)24(20(15)26)1775612(2)13(17)3h511H4H213H3(H232528)b1510
MFCD02628917
ZINC000012363838
ZINC12363838
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