Vitas-M small molecule compound
2-methyl-3-nitro-N-{[4-(piperidin-1-yl)phenyl]carbamothioyl}benzamide
Catalog ID
STK381335
SMILES S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1ccc(cc1)N1CCCCC1
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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/c1-14-17(6-5-7-18(14)24(26)27)19(25)22-20(28)21-15-8-10-16(11-9-15)23-12-3-2-4-13-23/h5-11H,2-4,12-13H2,1H3,(H2,21,22,25,28)InChIKey
AHEUFQDZENBGRI-UHFFFAOYSA-NSynonyms
(2METHYL3NITROPHENYL)N(((4PIPERIDYLPHENYL)AMINO)THIOXOMETHYL)CARBOXAMIDE
2methyl3nitroN((4(piperidin1yl)phenyl)carbamothioyl)benzamide
2METHYL3NITRON((4PIPERIDIN1YLPHENYL)CARBAMOTHIOYL)BENZAMIDE
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCCC3
InChI=1SC20H22N4O3Sc11417(65718(14)24(26)27)19(25)2220(28)211581016(11915)23123241323h511H241213H21H3(H221222528)
MFCD02914934
S=C(NC(=O)c1cccc(c1C)(N+)(=O)(O))Nc1ccc(cc1)N1CCCCC1
ZINC000001180097
ZINC01180097
ZINC1180097
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