Vitas-M small molecule compound
3-methyl-5-({3-[(4-methylbenzyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-5-oxopentanoic acid
Catalog ID
STK470851
SMILES CC(CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NCc1ccc(cc1)C)CCCC2
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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 C23H28N2O4S MW 428.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O4S/c1-14-7-9-16(10-8-14)13-24-22(29)21-17-5-3-4-6-18(17)30-23(21)25-19(26)11-15(2)12-20(27)28/h7-10,15H,3-6,11-13H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)InChIKey
KJLLDQTVLPGJJB-UHFFFAOYSA-NSynonyms
3methyl5((3((4methylbenzyl)carbamoyl)4567tetrahydro1benzothiophen2yl)amino)5oxopentanoicacid
3methyl5((3((4methylphenyl)methylcarbamoyl)4567tetrahydro1benzothiophen2yl)amino)5oxopentanoicacid
CC1=CC=C(C=C1)CNC(=O)C2=C(SC3=C2CCCC3)NC(=O)CC(C)CC(=O)O
InChI=1SC23H28N2O4Sc1147916(10814)132422(29)2117534618(17)3023(21)2519(26)1115(2)1220(27)28h71015H361113H212H3(H2429)(H2526)(H2728)
MFCD06021277
ZINC000017096029
ZINC000017096030
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