Vitas-M small molecule compound
3-methylcyclohexyl 6-methyl-4-(2-propoxyphenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK370811
SMILES CCCOc1ccccc1C1NC(=S)NC(=C1C(=O)OC1CCCC(C1)C)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 C22H30N2O3S MW 402.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O3S/c1-4-12-26-18-11-6-5-10-17(18)20-19(15(3)23-22(28)24-20)21(25)27-16-9-7-8-14(2)13-16/h5-6,10-11,14,16,20H,4,7-9,12-13H2,1-3H3,(H2,23,24,28)InChIKey
JXJRGYWXZFSVTA-UHFFFAOYSA-NSynonyms
(3METHYLCYCLOHEXYL)6METHYL4(2PROPOXYPHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
3METHYLCYCLOHEXYL4METHYL6(2PROPOXYPHENYL)2THIOXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
3methylcyclohexyl6methyl4(2propoxyphenyl)2thioxo1234tetrahydropyrimidine5carboxylate
CCCOC1=CC=CC=C1C2C(=C(NC(=S)N2)C)C(=O)OC3CCCC(C3)C
InChI=1SC22H30N2O3Sc1412261811651017(18)2019(15(3)2322(28)2420)21(25)271697814(2)1316h561011141620H4791213H213H3(H2232428)
MFCD00352666
ZINC000004064628
ZINC000013305998
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