Vitas-M small molecule compound
4-ethyl-N-({4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}carbonothioyl)benzamide
Catalog ID
STK163213
SMILES CCc1ccc(cc1)C(=O)NC(=S)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)[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 C25H31N5O3S MW 481.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O3S/c1-2-19-6-8-20(9-7-19)24(31)26-25(34)29-16-14-27(15-17-29)21-10-11-22(30(32)33)23(18-21)28-12-4-3-5-13-28/h6-11,18H,2-5,12-17H2,1H3,(H,26,31,34)InChIKey
QSSXYFCLBBYGAA-UHFFFAOYSA-NSynonyms
4ETHYLN((4(4NITRO3(PIPERIDIN1YL)PHENYL)PIPERAZIN1YL)CARBONOTHIOYL)BENZAMIDE
4ETHYLN(4(4NITRO3PIPERIDIN1YLPHENYL)PIPERAZINE1CARBOTHIOYL)BENZAMIDE
CCC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCCCC4
CCc1ccc(cc1)C(=O)NC(=S)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)(N+)(=O)(O)
InChI=1SC25H31N5O3Sc12196820(9719)24(31)2625(34)29161427(151729)21101122(30(32)33)23(1821)28124351328h61118H251217H21H3(H263134)
MFCD06663222
ZINC000009846189
ZINC09846189
ZINC9846189
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