Vitas-M small molecule compound
propan-2-yl 5-carbamoyl-2-({[4-(3-chlorophenyl)piperazin-1-yl]acetyl}amino)-4-methylthiophene-3-carboxylate
Catalog ID
STK458811
SMILES O=C(Nc1sc(c(c1C(=O)OC(C)C)C)C(=O)N)CN1CCN(CC1)c1cccc(c1)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 C22H27ClN4O4S MW 479.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27ClN4O4S/c1-13(2)31-22(30)18-14(3)19(20(24)29)32-21(18)25-17(28)12-26-7-9-27(10-8-26)16-6-4-5-15(23)11-16/h4-6,11,13H,7-10,12H2,1-3H3,(H2,24,29)(H,25,28)InChIKey
KVQJFVSORLQMNF-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)N
InChI=1SC22H27ClN4O4Sc113(2)3122(30)1814(3)19(20(24)29)3221(18)2517(28)12267927(10826)1664515(23)1116h461113H71012H213H3(H22429)(H2528)
METHYLETHYL5CARBAMOYL2(2(4(3CHLOROPHENYL)PIPERAZINYL)ACETYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD05070036
propan2yl5carbamoyl2(((4(3chlorophenyl)piperazin1yl)acetyl)amino)4methylthiophene3carboxylate
propan2yl5carbamoyl2((2(4(3chlorophenyl)piperazin1yl)acetyl)amino)4methylthiophene3carboxylate
ZINC000096288462
ZINC96288462
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