Vitas-M small molecule compound
methyl 6-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL028062
SMILES COC(=O)C1=C(CN2CCN(CC2)c2cc(Cl)ccc2C)NC(=O)NC1c1cccs1
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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 C22H25ClN4O3S MW 460.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25ClN4O3S/c1-14-5-6-15(23)12-17(14)27-9-7-26(8-10-27)13-16-19(21(28)30-2)20(25-22(29)24-16)18-4-3-11-31-18/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,29)InChIKey
ZBQZYCASVNZGBA-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=C(C(NC(=O)N3)C4=CC=CS4)C(=O)OC
InChI=1SC22H25ClN4O3Sc1145615(23)1217(14)279726(81027)131619(21(28)302)20(2522(29)2416)1843113118h36111220H71013H212H3(H2242529)
methyl6((4(5chloro2methylphenyl)piperazin1yl)methyl)2oxo4(thiophen2yl)1234tetrahydropyrimidine5carboxylate
methyl6((4(5chloro2methylphenyl)piperazin1yl)methyl)2oxo4thiophen2yl34dihydro1Hpyrimidine5carboxylate
MFCD18188653
ZINC000057416002
ZINC000057416005
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