Vitas-M small molecule compound
ethyl 6-methyl-4-(2-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK957866
SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1ccccc1[N+](=O)[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 C14H15N3O4S MW 321.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N3O4S/c1-3-21-13(18)11-8(2)15-14(22)16-12(11)9-6-4-5-7-10(9)17(19)20/h4-7,12H,3H2,1-2H3,(H2,15,16,22)InChIKey
YOEWOZKUGHLERD-UHFFFAOYSA-NSynonyms
112080-22-5112080225
CCOC(=O)C1=C(C)NC(=S)NC1c1ccccc1(N+)(=O)(O)
CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2(N+)(=O)(O))C
ETHYL6METHYL4(2NITROPHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl6methyl4(2nitrophenyl)2thioxo1234tetrahydropyrimidine5carboxylate
InChI=1SC14H15N3O4Sc132113(18)118(2)1514(22)1612(11)9645710(9)17(19)20h4712H3H212H3(H2151622)
MFCD00692747
ZINC000005247350
ZINC000005247355
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