Vitas-M small molecule compound
N-{[2-chloro-5-(propanoylamino)phenyl]carbamothioyl}-2-nitrobenzamide
Catalog ID
STL377681
SMILES CCC(=O)Nc1ccc(c(c1)NC(=S)NC(=O)c1ccccc1[N+](=O)[O-])Cl
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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 C17H15ClN4O4S MW 406.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClN4O4S/c1-2-15(23)19-10-7-8-12(18)13(9-10)20-17(27)21-16(24)11-5-3-4-6-14(11)22(25)26/h3-9H,2H2,1H3,(H,19,23)(H2,20,21,24,27)InChIKey
SCNFYWBMGACKGJ-UHFFFAOYSA-NSynonyms
CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=CC=C2(N+)(=O)(O)
CCC(=O)Nc1ccc(c(c1)NC(=S)NC(=O)c1ccccc1(N+)(=O)(O))Cl
InChI=1SC17H15ClN4O4Sc1215(23)19107812(18)13(910)2017(27)2116(24)11534614(11)22(25)26h39H2H21H3(H1923)(H220212427)
MFCD03998921
N((2chloro5(propanoylamino)phenyl)carbamothioyl)2nitrobenzamide
ZINC000001148915
ZINC01148915
ZINC1148915
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