Vitas-M small molecule compound
methyl 4-({2-[(5-benzyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate
Catalog ID
STK209086
SMILES COC(=O)c1ccc(cc1)NC(=O)C(Sc1nc(O)c(c(=O)[nH]1)Cc1ccccc1)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/c1-13(18(26)23-16-10-8-15(9-11-16)21(29)30-2)31-22-24-19(27)17(20(28)25-22)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,23,26)(H2,24,25,27,28)InChIKey
PPKSUTQGVBTEAJ-UHFFFAOYSA-NSynonyms
823835-52-5823835525
CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O
COC(=O)c1ccc(cc1)NC(=O)C(Sc1nc(O)c(c(=O)(nH)1)Cc1ccccc1)C
InChI=1SC22H21N3O5Sc113(18(26)231610815(91116)21(29)302)31222419(27)17(20(28)2522)12146435714h31113H12H212H3(H2326)(H224252728)
METHYL4((2((5BENZYL4HYDROXY6OXO16DIHYDROPYRIMIDIN2YL)SULFANYL)PROPANOYL)AMINO)BENZOATE
METHYL4(2((5BENZYL4HYDROXY6OXO1HPYRIMIDIN2YL)SULFANYL)PROPANOYLAMINO)BENZOATE
MFCD06622973
ZINC000010034971
ZINC000010034974
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