Vitas-M small molecule compound
propan-2-yl 5-carbamoyl-2-({[4-(4-chlorobenzyl)piperazin-1-yl]acetyl}amino)-4-methylthiophene-3-carboxylate
Catalog ID
STK458769
SMILES O=C(Nc1sc(c(c1C(=O)OC(C)C)C)C(=O)N)CN1CCN(CC1)Cc1ccc(cc1)Cl
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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 C23H29ClN4O4S MW 493.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29ClN4O4S/c1-14(2)32-23(31)19-15(3)20(21(25)30)33-22(19)26-18(29)13-28-10-8-27(9-11-28)12-16-4-6-17(24)7-5-16/h4-7,14H,8-13H2,1-3H3,(H2,25,30)(H,26,29)InChIKey
XHHHJIUCBQBLOV-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)Cl)C(=O)N
InChI=1SC23H29ClN4O4Sc114(2)3223(31)1915(3)20(21(25)30)3322(19)2618(29)132810827(91128)12164617(24)7516h4714H813H213H3(H22530)(H2629)
MFCD06054192
propan2yl5carbamoyl2(((4(4chlorobenzyl)piperazin1yl)acetyl)amino)4methylthiophene3carboxylate
propan2yl5carbamoyl2((2(4((4chlorophenyl)methyl)piperazin1yl)acetyl)amino)4methylthiophene3carboxylate
ZINC000020294950
ZINC20294950
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