Vitas-M small molecule compound
methyl 4-{2-chloro-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL181586
SMILES COC(=O)C1=C(C)NC(=S)NC1c1cc(OC)c(cc1Cl)OCc1ccccc1Cl
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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 C21H20Cl2N2O4S MW 467.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl2N2O4S/c1-11-18(20(26)28-3)19(25-21(30)24-11)13-8-16(27-2)17(9-15(13)23)29-10-12-6-4-5-7-14(12)22/h4-9,19H,10H2,1-3H3,(H2,24,25,30)InChIKey
ORCJQWSYGAREJE-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2Cl)OCC3=CC=CC=C3Cl)OC)C(=O)OC
InChI=1SC21H20Cl2N2O4Sc11118(20(26)283)19(2521(30)2411)13816(272)17(915(13)23)291012645714(12)22h4919H10H213H3(H2242530)
methyl4(2chloro4((2chlorobenzyl)oxy)5methoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
methyl4(2chloro4((2chlorophenyl)methoxy)5methoxyphenyl)6methyl2sulfanylidene34dihydro1Hpyrimidine5carboxylate
MFCD06196512
ZINC000016606851
ZINC000016606854
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