Vitas-M small molecule compound
3-chloro-7-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
Catalog ID
STK259184
SMILES CCC(=O)N1CCN(CC1)c1ccccc1NC(=O)c1sc2c(c1Cl)cccc2[N+](=O)[O-]
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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 C22H21ClN4O4S MW 472.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O4S/c1-2-18(28)26-12-10-25(11-13-26)16-8-4-3-7-15(16)24-22(29)21-19(23)14-6-5-9-17(27(30)31)20(14)32-21/h3-9H,2,10-13H2,1H3,(H,24,29)InChIKey
UGLVYQDULPRCNX-UHFFFAOYSA-NSynonyms
3chloro7nitroN(2(4propanoylpiperazin1yl)phenyl)1benzothiophene2carboxamide
3CHLORO7NITRON(2(4PROPIONYL1PIPERAZINYL)PHENYL)1BENZOTHIOPHENE2CARBOXAMIDE
CCC(=O)N1CCN(CC1)c1ccccc1NC(=O)c1sc2c(c1Cl)cccc2(N+)(=O)(O)
CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C(=CC=C4)(N+)(=O)(O))Cl
InChI=1SC22H21ClN4O4Sc1218(28)26121025(111326)16843715(16)2422(29)2119(23)1465917(27(30)31)20(14)3221h39H21013H21H3(H2429)
MFCD07177370
ZINC000009504322
ZINC09504322
ZINC9504322
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