Vitas-M small molecule compound
methyl 4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK958839
SMILES CCOC(=O)COc1c(Cl)cc(cc1OC)C1NC(=S)NC(=C1C(=O)OC)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 C18H21ClN2O6S MW 428.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21ClN2O6S/c1-5-26-13(22)8-27-16-11(19)6-10(7-12(16)24-3)15-14(17(23)25-4)9(2)20-18(28)21-15/h6-7,15H,5,8H2,1-4H3,(H2,20,21,28)InChIKey
GCGUROGZKIJSRS-UHFFFAOYSA-NSynonyms
445288-02-8445288028
CCOC(=O)COC1=C(C=C(C=C1Cl)C2C(=C(NC(=S)N2)C)C(=O)OC)OC
InChI=1SC18H21ClN2O6Sc152613(22)8271611(19)610(712(16)243)1514(17(23)254)9(2)2018(28)2115h6715H58H214H3(H2202128)
METHYL4(3CHLORO4(2ETHOXY2OXOETHOXY)5METHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
methyl4(3chloro4(2ethoxy2oxoethoxy)5methoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
MFCD02605737
ZINC000000673477
ZINC000000673479
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