Vitas-M small molecule compound
propan-2-yl 5-carbamoyl-2-({[4-(2-chloro-4-fluorobenzyl)piperazin-1-yl]acetyl}amino)-4-methylthiophene-3-carboxylate
Catalog ID
STK474478
SMILES O=C(Nc1sc(c(c1C(=O)OC(C)C)C)C(=O)N)CN1CCN(CC1)Cc1ccc(cc1Cl)F
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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 C23H28ClFN4O4S MW 511.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28ClFN4O4S/c1-13(2)33-23(32)19-14(3)20(21(26)31)34-22(19)27-18(30)12-29-8-6-28(7-9-29)11-15-4-5-16(25)10-17(15)24/h4-5,10,13H,6-9,11-12H2,1-3H3,(H2,26,31)(H,27,30)InChIKey
DUAXMUFGHJHFAA-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CN2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)C(=O)N
InChI=1SC23H28ClFN4O4Sc113(2)3323(32)1914(3)20(21(26)31)3422(19)2718(30)12298628(7929)11154516(25)1017(15)24h451013H691112H213H3(H22631)(H2730)
METHYLETHYL5CARBAMOYL2(2(4((2CHLORO4FLUOROPHENYL)METHYL)PIPERAZINYL)ACETYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD07090869
propan2yl5carbamoyl2(((4(2chloro4fluorobenzyl)piperazin1yl)acetyl)amino)4methylthiophene3carboxylate
propan2yl5carbamoyl2((2(4((2chloro4fluorophenyl)methyl)piperazin1yl)acetyl)amino)4methylthiophene3carboxylate
ZINC000020294962
ZINC20294962
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