Vitas-M small molecule compound
methyl 3-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-(4-methylpiperazin-1-yl)benzoate
Catalog ID
STK947614
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1sc2c(c1Cl)cccc2)N1CCN(CC1)C
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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 C22H22ClN3O3S MW 443.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O3S/c1-25-9-11-26(12-10-25)17-8-7-14(22(28)29-2)13-16(17)24-21(27)20-19(23)15-5-3-4-6-18(15)30-20/h3-8,13H,9-12H2,1-2H3,(H,24,27)InChIKey
JJKRCDDPZWBNAN-UHFFFAOYSA-NSynonyms
890179-88-1890179881
CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C4=CC=CC=C4S3)Cl
InChI=1SC22H22ClN3O3Sc12591126(121025)178714(22(28)292)1316(17)2421(27)2019(23)15534618(15)3020h3813H912H212H3(H2427)
METHYL3(((3CHLORO1BENZOTHIEN2YL)CARBONYL)AMINO)4(4METHYL1PIPERAZINYL)BENZOATE
methyl3(((3chloro1benzothiophen2yl)carbonyl)amino)4(4methylpiperazin1yl)benzoate
METHYL3((3CHLORO1BENZOTHIOPHENE2CARBONYL)AMINO)4(4METHYLPIPERAZIN1YL)BENZOATE
methyl3(3chlorobenzo(b)thiophene2carboxamido)4(4methylpiperazin1yl)benzoate
MFCD07086609
ZINC000013119570
ZINC13119570
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