Vitas-M small molecule compound
(5Z)-5-(3,5-dichloro-4-hydroxybenzylidene)-1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187932
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc(Cl)c(c(c2)Cl)O)/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 C19H14Cl2N2O4S MW 437.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14Cl2N2O4S/c1-2-27-12-5-3-11(4-6-12)23-18(26)13(17(25)22-19(23)28)7-10-8-14(20)16(24)15(21)9-10/h3-9,24H,2H2,1H3,(H,22,25,28)/b13-7-InChIKey
URPVXCYQRWUFRP-QPEQYQDCSA-NSynonyms
(5Z)5((35dichloro4hydroxyphenyl)methylidene)1(4ethoxyphenyl)2sulfanylidene13diazinane46dione
(5Z)5(35DICHLORO4HYDROXYBENZYLIDENE)1(4ETHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Cl)O)Cl)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(Cl)c(c(c2)Cl)O)C1=O
InChI=1SC19H14Cl2N2O4Sc1227125311(4612)2318(26)13(17(25)2219(23)28)710814(20)16(24)15(21)910h3924H2H21H3(H222528)b137
MFCD02629136
ZINC000009311433
ZINC09311433
ZINC9311433
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