Vitas-M small molecule compound
methyl 3-{[(3-chloro-7-nitro-1-benzothiophen-2-yl)carbonyl]amino}-4-(4-methylpiperazin-1-yl)benzoate
Catalog ID
STK337627
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1sc2c(c1Cl)cccc2[N+](=O)[O-])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 C22H21ClN4O5S MW 488.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O5S/c1-25-8-10-26(11-9-25)16-7-6-13(22(29)32-2)12-15(16)24-21(28)20-18(23)14-4-3-5-17(27(30)31)19(14)33-20/h3-7,12H,8-11H2,1-2H3,(H,24,28)InChIKey
FFKVAVACARKLAT-UHFFFAOYSA-NSynonyms
CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C4=C(S3)C(=CC=C4)(N+)(=O)(O))Cl
COC(=O)c1ccc(c(c1)NC(=O)c1sc2c(c1Cl)cccc2(N+)(=O)(O))N1CCN(CC1)C
InChI=1SC22H21ClN4O5Sc12581026(11925)167613(22(29)322)1215(16)2421(28)2018(23)1443517(27(30)31)19(14)3320h3712H811H212H3(H2428)
methyl3(((3chloro7nitro1benzothiophen2yl)carbonyl)amino)4(4methylpiperazin1yl)benzoate
methyl3((3chloro7nitro1benzothiophene2carbonyl)amino)4(4methylpiperazin1yl)benzoate
MFCD07086688
ZINC000012843648
ZINC12843648
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