Vitas-M small molecule compound
methyl 4-(2-butoxy-5-iodophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL181490
SMILES CCCCOc1ccc(cc1C1NC(=S)NC(=C1C(=O)OC)C)I
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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 C17H21IN2O3S MW 460.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21IN2O3S/c1-4-5-8-23-13-7-6-11(18)9-12(13)15-14(16(21)22-3)10(2)19-17(24)20-15/h6-7,9,15H,4-5,8H2,1-3H3,(H2,19,20,24)InChIKey
LKPHVRBWKWSNFO-UHFFFAOYSA-NSynonyms
CCCCOC1=C(C=C(C=C1)I)C2C(=C(NC(=S)N2)C)C(=O)OC
InChI=1SC17H21IN2O3Sc145823137611(18)912(13)1514(16(21)223)10(2)1917(24)2015h67915H458H213H3(H2192024)
METHYL4(2BUTOXY5IODOPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
methyl4(2butoxy5iodophenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
MFCD05993598
ZINC000016361975
ZINC000016361976
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