Vitas-M small molecule compound
ethyl 1-ethyl-6-({[4-methyl-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK313651
SMILES CCOC(=O)C1=C(CSc2nnc(n2C)c2ccnn2C)N(C(=O)NC1c1ccccc1)CC
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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 C23H27N7O3S MW 481.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N7O3S/c1-5-30-17(14-34-23-27-26-20(28(23)3)16-12-13-24-29(16)4)18(21(31)33-6-2)19(25-22(30)32)15-10-8-7-9-11-15/h7-13,19H,5-6,14H2,1-4H3,(H,25,32)InChIKey
HUJWXPGCLVSURZ-UHFFFAOYSA-NSynonyms
1005569-03-81005569038
CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)CSC3=NN=C(N3C)C4=CC=NN4C
ethyl1ethyl6(((4methyl5(1methyl1Hpyrazol5yl)4H124triazol3yl)sulfanyl)methyl)2oxo4phenyl1234tetrahydropyrimidine5carboxylate
ethyl3ethyl4((4methyl5(2methylpyrazol3yl)124triazol3yl)sulfanylmethyl)2oxo6phenyl16dihydropyrimidine5carboxylate
InChI=1SC23H27N7O3Sc153017(143423272620(28(23)3)1612132429(16)4)18(21(31)3362)19(2522(30)32)15108791115h71319H5614H214H3(H2532)
MFCD05667274
ZINC000002732756
ZINC000002732757
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