Vitas-M small molecule compound
(5E)-1-(4-butylphenyl)-5-(3,5-dichloro-2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL374871
SMILES CCCCc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(Cl)cc(c2OC)Cl)/C1=O
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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 C22H20Cl2N2O3S MW 463.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20Cl2N2O3S/c1-3-4-5-13-6-8-16(9-7-13)26-21(28)17(20(27)25-22(26)30)11-14-10-15(23)12-18(24)19(14)29-2/h6-12H,3-5H2,1-2H3,(H,25,27,30)/b17-11+InChIKey
SCIBOGDZFCMUSK-GZTJUZNOSA-NSynonyms
(5E)1(4BUTYLPHENYL)5((35DICHLORO2METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4butylphenyl)5(35dichloro2methoxybenzylidene)2thioxodihydropyrimidine46(1H5H)dione
CCCCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC(=C3OC)Cl)Cl)C(=O)NC2=S
CCCCc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(Cl)cc(c2OC)Cl)C1=O
InChI=1SC22H20Cl2N2O3Sc1345136816(9713)2621(28)17(20(27)2522(26)30)11141015(23)1218(24)19(14)292h612H35H212H3(H252730)b1711+
MFCD02047370
ZINC000006481619
ZINC06481619
ZINC6481619
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