Vitas-M small molecule compound
4-ethoxy-N-({2-[4-(methylsulfonyl)piperazin-1-yl]phenyl}carbamothioyl)-3-nitrobenzamide
Catalog ID
STK344536
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccccc1N1CCN(CC1)S(=O)(=O)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 C21H25N5O6S2 MW 507.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O6S2/c1-3-32-19-9-8-15(14-18(19)26(28)29)20(27)23-21(33)22-16-6-4-5-7-17(16)24-10-12-25(13-11-24)34(2,30)31/h4-9,14H,3,10-13H2,1-2H3,(H2,22,23,27,33)InChIKey
KPTHPTJTEAPDNE-UHFFFAOYSA-NSynonyms
1(4ETHOXY3NITROBENZOYL)3(2(4METHANESULFONYLPIPERAZIN1YL)PHENYL)THIOUREA
4ethoxyN((2(4(methylsulfonyl)piperazin1yl)phenyl)carbamothioyl)3nitrobenzamide
4ETHOXYN((2(4METHYLSULFONYLPIPERAZIN1YL)PHENYL)CARBAMOTHIOYL)3NITROBENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccccc1N1CCN(CC1)S(=O)(=O)C
InChI=1SC21H25N5O6S2c1332199815(1418(19)26(28)29)20(27)2321(33)2216645717(16)24101225(131124)34(230)31h4914H31013H212H3(H222232733)
MFCD05806540
ZINC000002865888
ZINC02865888
ZINC2865888
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