Vitas-M small molecule compound
ethyl 4-[2-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL181590
SMILES CCOC(=O)COc1cc(Cl)c(cc1OC)C1NC(=S)NC(=C1C(=O)OCC)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 C19H23ClN2O6S MW 442.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23ClN2O6S/c1-5-26-15(23)9-28-14-8-12(20)11(7-13(14)25-4)17-16(18(24)27-6-2)10(3)21-19(29)22-17/h7-8,17H,5-6,9H2,1-4H3,(H2,21,22,29)InChIKey
FPOISSUSGYTAGQ-UHFFFAOYSA-NSynonyms
CCOC(=O)COC1=C(C=C(C(=C1)Cl)C2C(=C(NC(=S)N2)C)C(=O)OCC)OC
ETHYL4(2CHLORO4(2ETHOXY2OXOETHOXY)5METHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(2chloro4(2ethoxy2oxoethoxy)5methoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
InChI=1SC19H23ClN2O6Sc152615(23)92814812(20)11(713(14)254)1716(18(24)2762)10(3)2119(29)2217h7817H569H214H3(H2212229)
MFCD05996048
ZINC000001126676
ZINC000001126679
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