Vitas-M small molecule compound
methyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL435669
SMILES COC(=O)C1=C(CSc2nnnn2c2ccccc2)NC(=O)NC1c1cc(C)ccc1C
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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 C22H22N6O3S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O3S/c1-13-9-10-14(2)16(11-13)19-18(20(29)31-3)17(23-21(30)24-19)12-32-22-25-26-27-28(22)15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3,(H2,23,24,30)InChIKey
QQQFKEHBDIAHPB-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CSC3=NN=NN3C4=CC=CC=C4)C(=O)OC
InChI=1SC22H22N6O3Sc11391014(2)16(1113)1918(20(29)313)17(2321(30)2419)12322225262728(22)157546815h41119H12H213H3(H2232430)
methyl4(25dimethylphenyl)2oxo6(((1phenyl1Htetrazol5yl)sulfanyl)methyl)1234tetrahydropyrimidine5carboxylate
METHYL4(25DIMETHYLPHENYL)2OXO6((1PHENYLTETRAZOL5YL)SULFANYLMETHYL)34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
MFCD06630282
ZINC000016448302
ZINC000016448304
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