Vitas-M small molecule compound
ethyl 4-({2-[(4-hydroxy-6-oxo-5-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate
Catalog ID
STK209065
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C(Sc1nc(O)c(c(=O)[nH]1)c1ccccc1)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 C22H21N3O5S MW 439.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5S/c1-3-30-21(29)15-9-11-16(12-10-15)23-18(26)13(2)31-22-24-19(27)17(20(28)25-22)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,23,26)(H2,24,25,27,28)InChIKey
ZHZKSYJTRPXRJR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=C(C(=O)N2)C3=CC=CC=C3)O
CCOC(=O)c1ccc(cc1)NC(=O)C(Sc1nc(O)c(c(=O)(nH)1)c1ccccc1)C
ETHYL4((2((4HYDROXY6OXO5PHENYL16DIHYDRO2PYRIMIDINYL)THIO)PROPANOYL)AMINO)BENZOATE
ETHYL4((2((4HYDROXY6OXO5PHENYL16DIHYDROPYRIMIDIN2YL)SULFANYL)PROPANOYL)AMINO)BENZOATE
ETHYL4(2((4HYDROXY6OXO5PHENYL1HPYRIMIDIN2YL)SULFANYL)PROPANOYLAMINO)BENZOATE
InChI=1SC22H21N3O5Sc133021(29)1591116(121015)2318(26)13(2)31222419(27)17(20(28)2522)147546814h413H3H212H3(H2326)(H224252728)
MFCD05993780
ZINC000013544926
ZINC000013544928
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