Vitas-M small molecule compound
propan-2-yl 4-(5-bromo-2-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK863090
SMILES COc1ccc(cc1C1NC(=S)NC(=C1C(=O)OC(C)C)C)Br
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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 C16H19BrN2O3S MW 399.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19BrN2O3S/c1-8(2)22-15(20)13-9(3)18-16(23)19-14(13)11-7-10(17)5-6-12(11)21-4/h5-8,14H,1-4H3,(H2,18,19,23)InChIKey
MIGZHARBKXCUCW-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)Br)OC)C(=O)OC(C)C
InChI=1SC16H19BrN2O3Sc18(2)2215(20)139(3)1816(23)1914(13)11710(17)5612(11)214h5814H14H3(H2181923)
MFCD04445874
PROPAN2YL4(5BROMO2METHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
propan2yl4(5bromo2methoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
ZINC000016729054
ZINC000016729057
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