Vitas-M small molecule compound
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide
Catalog ID
STK319632
SMILES CC(=O)N1CCN(CC1)c1ccc(cc1Cl)NC(=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 C21H18Cl2N4O4S MW 493.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2N4O4S/c1-12(28)25-7-9-26(10-8-25)16-6-5-13(11-15(16)22)24-21(29)20-18(23)14-3-2-4-17(27(30)31)19(14)32-20/h2-6,11H,7-10H2,1H3,(H,24,29)InChIKey
JJQMKGIBMNCDSQ-UHFFFAOYSA-NSynonyms
CC(=O)N1CCN(CC1)c1ccc(cc1Cl)NC(=O)c1sc2c(c1Cl)cccc2(N+)(=O)(O)
CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)(N+)(=O)(O))Cl)Cl
InChI=1SC21H18Cl2N4O4Sc112(28)257926(10825)166513(1115(16)22)2421(29)2018(23)1432417(27(30)31)19(14)3220h2611H710H21H3(H2429)
MFCD07087048
N(4(4acetylpiperazin1yl)3chlorophenyl)3chloro7nitro1benzothiophene2carboxamide
ZINC000012651328
ZINC12651328
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