Vitas-M small molecule compound
3,4-dimethyl-N-{[4-(4-nitrophenyl)piperazin-1-yl]carbonothioyl}benzamide
Catalog ID
STK004576
SMILES S=C(N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])NC(=O)c1ccc(c(c1)C)C
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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/c1-14-3-4-16(13-15(14)2)19(25)21-20(28)23-11-9-22(10-12-23)17-5-7-18(8-6-17)24(26)27/h3-8,13H,9-12H2,1-2H3,(H,21,25,28)InChIKey
MGIDLIGCJZZQSV-UHFFFAOYSA-NSynonyms
34DIMETHYLN((4(4NITROPHENYL)PIPERAZIN1YL)CARBONOTHIOYL)BENZAMIDE
34DIMETHYLN(4(4NITROPHENYL)PIPERAZINE1CARBOTHIOYL)BENZAMIDE
CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)(N+)(=O)(O))C
InChI=1SC20H22N4O3Sc1143416(1315(14)2)19(25)2120(28)2311922(101223)175718(8617)24(26)27h3813H912H212H3(H212528)
MFCD02630977
S=C(N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))NC(=O)c1ccc(c(c1)C)C
STK004576
ZINC000004549891
ZINC04549891
ZINC4549891
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