Vitas-M small molecule compound
prop-2-en-1-yl 6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK704817
SMILES C=CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(cc1)OCCC(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 C20H26N2O3S MW 374.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N2O3S/c1-5-11-25-19(23)17-14(4)21-20(26)22-18(17)15-6-8-16(9-7-15)24-12-10-13(2)3/h5-9,13,18H,1,10-12H2,2-4H3,(H2,21,22,26)InChIKey
FYTAGSDYCGSRMV-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OCCC(C)C)C(=O)OCC=C
InChI=1SC20H26N2O3Sc15112519(23)1714(4)2120(26)2218(17)156816(9715)24121013(2)3h591318H11012H224H3(H2212226)
MFCD04446646
prop2en1yl6methyl4(4(3methylbutoxy)phenyl)2thioxo1234tetrahydropyrimidine5carboxylate
prop2enyl6methyl4(4(3methylbutoxy)phenyl)2sulfanylidene34dihydro1Hpyrimidine5carboxylate
ZINC000006307965
ZINC000006308043
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