Vitas-M small molecule compound
methyl 4-[2-(benzyloxy)-5-bromophenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK326295
SMILES COC(=O)C1=C(C)NC(=S)NC1c1cc(Br)ccc1OCc1ccccc1
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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 C20H19BrN2O3S MW 447.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O3S/c1-12-17(19(24)25-2)18(23-20(27)22-12)15-10-14(21)8-9-16(15)26-11-13-6-4-3-5-7-13/h3-10,18H,11H2,1-2H3,(H2,22,23,27)InChIKey
AJJMFTLTBNQRAY-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)OC
InChI=1SC20H19BrN2O3Sc11217(19(24)252)18(2320(27)2212)151014(21)8916(15)2611136435713h31018H11H212H3(H2222327)
methyl4(2(benzyloxy)5bromophenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
METHYL4(5BROMO2PHENYLMETHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
MFCD02168354
ZINC000015015793
ZINC000015015794
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