Vitas-M small molecule compound
propan-2-yl 6-methyl-4-[4-(pentyloxy)phenyl]-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK817039
SMILES CCCCCOc1ccc(cc1)C1NC(=S)NC(=C1C(=O)OC(C)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 C20H28N2O3S MW 376.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O3S/c1-5-6-7-12-24-16-10-8-15(9-11-16)18-17(19(23)25-13(2)3)14(4)21-20(26)22-18/h8-11,13,18H,5-7,12H2,1-4H3,(H2,21,22,26)InChIKey
RGMDYHMBVUYCPC-UHFFFAOYSA-NSynonyms
CCCCCOC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC(C)C
InChI=1SC20H28N2O3Sc156712241610815(91116)1817(19(23)2513(2)3)14(4)2120(26)2218h8111318H5712H214H3(H2212226)
MFCD04446221
propan2yl6methyl4(4(pentyloxy)phenyl)2thioxo1234tetrahydropyrimidine5carboxylate
PROPAN2YL6METHYL4(4PENTOXYPHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ZINC000016733881
ZINC000016733884
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