Vitas-M small molecule compound
methyl 4-{5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl}benzoate
Catalog ID
STL427054
SMILES COC(=O)c1ccc(cc1)C1=C(C(NC(=S)N1)C)C(=O)Nc1ccc(cc1C)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 C22H23N3O3S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O3S/c1-12-5-10-17(13(2)11-12)24-20(26)18-14(3)23-22(29)25-19(18)15-6-8-16(9-7-15)21(27)28-4/h5-11,14H,1-4H3,(H,24,26)(H2,23,25,29)InChIKey
ANRNWINARMYSES-UHFFFAOYSA-NSynonyms
CC1C(=C(NC(=S)N1)C2=CC=C(C=C2)C(=O)OC)C(=O)NC3=C(C=C(C=C3)C)C
InChI=1SC22H23N3O3Sc11251017(13(2)1112)2420(26)1814(3)2322(29)2519(18)156816(9715)21(27)284h51114H14H3(H2426)(H2232529)
methyl4(5((24dimethylphenyl)carbamoyl)4methyl2sulfanylidene34dihydro1Hpyrimidin6yl)benzoate
methyl4(5((24dimethylphenyl)carbamoyl)6methyl2thioxo1236tetrahydropyrimidin4yl)benzoate
MFCD30710449
ZINC000252478491
ZINC000252478492
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