Vitas-M small molecule compound
3,4,5-trimethoxy-N-({4-[3-(morpholin-4-yl)-4-nitrophenyl]piperazin-1-yl}carbonothioyl)benzamide
Catalog ID
STK355392
SMILES COc1cc(cc(c1OC)OC)C(=O)NC(=S)N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[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 C25H31N5O7S MW 545.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O7S/c1-34-21-14-17(15-22(35-2)23(21)36-3)24(31)26-25(38)29-8-6-27(7-9-29)18-4-5-19(30(32)33)20(16-18)28-10-12-37-13-11-28/h4-5,14-16H,6-13H2,1-3H3,(H,26,31,38)InChIKey
VLKZZHKAHCZASY-UHFFFAOYSA-NSynonyms
345TRIMETHOXYN((4(3(MORPHOLIN4YL)4NITROPHENYL)PIPERAZIN1YL)CARBONOTHIOYL)BENZAMIDE
345TRIMETHOXYN(4(3MORPHOLIN4YL4NITROPHENYL)PIPERAZINE1CARBOTHIOYL)BENZAMIDE
COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCOCC4
COc1cc(cc(c1OC)OC)C(=O)NC(=S)N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)(N+)(=O)(O)
InChI=1SC25H31N5O7Sc134211417(1522(352)23(21)363)24(31)2625(38)298627(7929)184519(30(32)33)20(1618)28101237131128h451416H613H213H3(H263138)
MFCD05830793
ZINC000059612536
ZINC59612536
Check stock
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Check stock on Vitas-MAvailable files
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