Vitas-M small molecule compound
3-methyl-4-nitro-N-{[2-(piperidin-1-yl)phenyl]carbamothioyl}benzamide
Catalog ID
STK254670
SMILES S=C(Nc1ccccc1N1CCCCC1)NC(=O)c1ccc(c(c1)C)[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 C20H22N4O3S MW 398.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S/c1-14-13-15(9-10-17(14)24(26)27)19(25)22-20(28)21-16-7-3-4-8-18(16)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H2,21,22,25,28)InChIKey
OGXDDJLBFZDZCZ-UHFFFAOYSA-NSynonyms
3methyl4nitroN((2(piperidin1yl)phenyl)carbamothioyl)benzamide
3METHYL4NITRON((2PIPERIDIN1YLPHENYL)CARBAMOTHIOYL)BENZAMIDE
CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCCC3)(N+)(=O)(O)
InChI=1SC20H22N4O3Sc1141315(91017(14)24(26)27)19(25)2220(28)2116734818(16)23115261223h3471013H2561112H21H3(H221222528)
MFCD03566243
S=C(Nc1ccccc1N1CCCCC1)NC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
ZINC000001129553
ZINC01129553
ZINC1129553
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