Vitas-M small molecule compound
methyl 2-({2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate
Catalog ID
STK274517
SMILES COC(=O)c1ccccc1NC(=O)C(Sc1[nH]c(=O)cc(n1)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 C21H19N3O4S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S/c1-13(19(26)22-16-11-7-6-10-15(16)20(27)28-2)29-21-23-17(12-18(25)24-21)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,22,26)(H,23,24,25)InChIKey
NEFGTBISDNWISP-UHFFFAOYSA-NSynonyms
879061-25-3879061253
CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=NC(=O)C=C(N2)C3=CC=CC=C3
COC(=O)c1ccccc1NC(=O)C(Sc1(nH)c(=O)cc(n1)c1ccccc1)C
InChI=1SC21H19N3O4Sc113(19(26)221611761015(16)20(27)282)29212317(1218(25)2421)148435914h313H12H3(H2226)(H232425)
methyl2((2((6oxo4phenyl16dihydropyrimidin2yl)sulfanyl)propanoyl)amino)benzoate
METHYL2(2((4OXO6PHENYL1HPYRIMIDIN2YL)SULFANYL)PROPANOYLAMINO)BENZOATE
MFCD07792521
ZINC000004999483
ZINC000004999484
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