Vitas-M small molecule compound
methyl 4-({[(4-hydroxy-6-oxo-5-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK279534
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nc(O)c(c(=O)[nH]1)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 C20H17N3O5S MW 411.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5S/c1-28-19(27)13-7-9-14(10-8-13)21-15(24)11-29-20-22-17(25)16(18(26)23-20)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,21,24)(H2,22,23,25,26)InChIKey
CXDOMHWSOTWQNX-UHFFFAOYSA-NSynonyms
924966-05-2924966052
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)C3=CC=CC=C3)O
COC(=O)c1ccc(cc1)NC(=O)CSc1nc(O)c(c(=O)(nH)1)c1ccccc1
InChI=1SC20H17N3O5Sc12819(27)137914(10813)2115(24)1129202217(25)16(18(26)2320)125324612h210H11H21H3(H2124)(H222232526)
METHYL4((((4HYDROXY6OXO5PHENYL16DIHYDROPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((4HYDROXY6OXO5PHENYL1HPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD09269904
ZINC000018149178
ZINC18149178
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