Vitas-M small molecule compound
ethyl 6-(4-methyl-3-nitrophenyl)-4-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
Catalog ID
STK110236
SMILES CCOC(=O)C1=C(N=C(NC1c1ccc(c(c1)[N+](=O)[O-])C)S)c1ccccc1
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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 C20H19N3O4S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4S/c1-3-27-19(24)16-17(13-7-5-4-6-8-13)21-20(28)22-18(16)14-10-9-12(2)15(11-14)23(25)26/h4-11,18H,3H2,1-2H3,(H2,21,22,28)InChIKey
KEHPWQBDUUYCNY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C(NC1c1ccc(c(c1)(N+)(=O)(O))C)S)c1ccccc1
CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)C)(N+)(=O)(O))C3=CC=CC=C3
ETHYL2MERCAPTO6(4METHYL3NITROPHENYL)4PHENYL16DIHYDRO5PYRIMIDINECARBOXYLATE
ETHYL4(4METHYL3NITROPHENYL)6PHENYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ETHYL6(4METHYL3NITROPHENYL)4PHENYL2SULFANYL16DIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC20H19N3O4Sc132719(24)1617(137546813)2120(28)2218(16)1410912(2)15(1114)23(25)26h41118H3H212H3(H2212228)
MFCD03715980
ZINC000101403588
ZINC000101403590
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