Vitas-M small molecule compound
methyl 6-(3-bromophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
Catalog ID
STK119512
SMILES COC(=O)C1=C(C)N=C(NC1c1cccc(c1)Br)S
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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 C13H13BrN2O2S MW 341.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13BrN2O2S/c1-7-10(12(17)18-2)11(16-13(19)15-7)8-4-3-5-9(14)6-8/h3-6,11H,1-2H3,(H2,15,16,19)InChIKey
IWIBOCWOUBYAPN-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)Br)C(=O)OC
InChI=1SC13H13BrN2O2Sc1710(12(17)182)11(1613(19)157)84359(14)68h3611H12H3(H2151619)
METHYL4(3BROMOPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
METHYL6(3BROMOPHENYL)4METHYL2SULFANYL16DIHYDROPYRIMIDINE5CARBOXYLATE
MFCD03716414
ZINC000000475541
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