Vitas-M small molecule compound
3-chloro-N-{3-[(2-methylpropanoyl)amino]phenyl}-7-nitro-1-benzothiophene-2-carboxamide
Catalog ID
STK243672
SMILES O=C(C(C)C)Nc1cccc(c1)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 C19H16ClN3O4S MW 417.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN3O4S/c1-10(2)18(24)21-11-5-3-6-12(9-11)22-19(25)17-15(20)13-7-4-8-14(23(26)27)16(13)28-17/h3-10H,1-2H3,(H,21,24)(H,22,25)InChIKey
TWLUPGVDQAYUPJ-UHFFFAOYSA-NSynonyms
3chloroN(3((2methylpropanoyl)amino)phenyl)7nitro1benzothiophene2carboxamide
3chloroN(3(2methylpropanoylamino)phenyl)7nitro1benzothiophene2carboxamide
CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)(N+)(=O)(O))Cl
InChI=1SC19H16ClN3O4Sc110(2)18(24)211153612(911)2219(25)1715(20)1374814(23(26)27)16(13)2817h310H12H3(H2124)(H2225)
MFCD07144703
O=C(C(C)C)Nc1cccc(c1)NC(=O)c1sc2c(c1Cl)cccc2(N+)(=O)(O)
ZINC000009252453
ZINC09252453
ZINC9252453
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