Vitas-M small molecule compound
prop-2-en-1-yl 4-(5-bromo-2-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK812677
SMILES C=CCOC(=O)C1=C(C)NC(=S)NC1c1cc(Br)ccc1OC
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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 C16H17BrN2O3S MW 397.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN2O3S/c1-4-7-22-15(20)13-9(2)18-16(23)19-14(13)11-8-10(17)5-6-12(11)21-3/h4-6,8,14H,1,7H2,2-3H3,(H2,18,19,23)InChIKey
CSJCRLLUGFTOAY-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)Br)OC)C(=O)OCC=C
InChI=1SC16H17BrN2O3Sc1472215(20)139(2)1816(23)1914(13)11810(17)5612(11)213h46814H17H223H3(H2181923)
MFCD03722771
prop2en1yl4(5bromo2methoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
PROP2ENYL4(5BROMO2METHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ZINC000004952387
ZINC000004952389
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