Vitas-M small molecule compound
4-ethoxy-N-{[2-(4-methylpiperidin-1-yl)phenyl]carbamothioyl}-3-nitrobenzamide
Catalog ID
STK254456
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccccc1N1CCC(CC1)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 C22H26N4O4S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O4S/c1-3-30-20-9-8-16(14-19(20)26(28)29)21(27)24-22(31)23-17-6-4-5-7-18(17)25-12-10-15(2)11-13-25/h4-9,14-15H,3,10-13H2,1-2H3,(H2,23,24,27,31)InChIKey
DCASAJHKWBVVMV-UHFFFAOYSA-NSynonyms
4ETHOXYN(((2(4METHYL1PIPERIDINYL)PHENYL)AMINO)CARBONOTHIOYL)3NITROBENZAMIDE
4ethoxyN((2(4methylpiperidin1yl)phenyl)carbamothioyl)3nitrobenzamide
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCC(CC3)C)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccccc1N1CCC(CC1)C
InChI=1SC22H26N4O4Sc1330209816(1419(20)26(28)29)21(27)2422(31)2317645718(17)25121015(2)111325h491415H31013H212H3(H223242731)
MFCD04219902
ZINC000002850488
ZINC02850488
ZINC2850488
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