Vitas-M small molecule compound
prop-2-en-1-yl 4-[4-(benzyloxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK817043
SMILES C=CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(cc1)OCc1ccccc1
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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 C22H22N2O3S MW 394.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O3S/c1-3-13-26-21(25)19-15(2)23-22(28)24-20(19)17-9-11-18(12-10-17)27-14-16-7-5-4-6-8-16/h3-12,20H,1,13-14H2,2H3,(H2,23,24,28)InChIKey
DUOQJCSRDIHELE-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC=C
InChI=1SC22H22N2O3Sc13132621(25)1915(2)2322(28)2420(19)1791118(121017)2714167546816h31220H11314H22H3(H2232428)
MFCD04502976
prop2en1yl4(4(benzyloxy)phenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
PROP2ENYL6METHYL4(4PHENYLMETHOXYPHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ZINC000006050387
ZINC000006050417
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