Vitas-M small molecule compound
(5-bromo-2-methoxy-4-{6-methyl-5-[(2-methylphenyl)carbamoyl]-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl}phenoxy)acetic acid
Catalog ID
STL181599
SMILES COc1cc(c(cc1OCC(=O)O)Br)C1NC(=S)NC(=C1C(=O)Nc1ccccc1C)C
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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 C22H22BrN3O5S MW 520.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN3O5S/c1-11-6-4-5-7-15(11)25-21(29)19-12(2)24-22(32)26-20(19)13-8-16(30-3)17(9-14(13)23)31-10-18(27)28/h4-9,20H,10H2,1-3H3,(H,25,29)(H,27,28)(H2,24,26,32)InChIKey
NQTFUXVPNFFVMH-UHFFFAOYSA-NSynonyms
(5bromo2methoxy4(6methyl5((2methylphenyl)carbamoyl)2thioxo1234tetrahydropyrimidin4yl)phenoxy)aceticacid
2(5BROMO2METHOXY4(6METHYL5((2METHYLPHENYL)CARBAMOYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDIN4YL)PHENOXY)ACETICACID
CC1=CC=CC=C1NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C=C3Br)OCC(=O)O)OC)C
InChI=1SC22H22BrN3O5Sc111645715(11)2521(29)1912(2)2422(32)2620(19)13816(303)17(914(13)23)311018(27)28h4920H10H213H3(H2529)(H2728)(H2242632)
MFCD05996013
ZINC000016362924
ZINC000016362925
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