Vitas-M small molecule compound
ethyl 4-(2-chloro-4-hydroxy-5-methoxyphenyl)-6-propyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL181597
SMILES CCOC(=O)C1=C(CCC)NC(=S)NC1c1cc(OC)c(cc1Cl)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 C17H21ClN2O4S MW 384.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21ClN2O4S/c1-4-6-11-14(16(22)24-5-2)15(20-17(25)19-11)9-7-13(23-3)12(21)8-10(9)18/h7-8,15,21H,4-6H2,1-3H3,(H2,19,20,25)InChIKey
DCVMHIAUHPEMBV-UHFFFAOYSA-NSynonyms
CCCC1=C(C(NC(=S)N1)C2=CC(=C(C=C2Cl)O)OC)C(=O)OCC
ETHYL4(2CHLORO4HYDROXY5METHOXYPHENYL)6PROPYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(2chloro4hydroxy5methoxyphenyl)6propyl2thioxo1234tetrahydropyrimidine5carboxylate
InChI=1SC17H21ClN2O4Sc1461114(16(22)2452)15(2017(25)1911)9713(233)12(21)810(9)18h781521H46H213H3(H2192025)
MFCD05993222
ZINC000005064515
ZINC000005064517
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