Vitas-M small molecule compound
N-{[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl}-4-(morpholin-4-yl)-3-nitrobenzamide
Catalog ID
STK892520
SMILES CCCC(=O)N1CCN(CC1)c1ccc(cc1)NC(=S)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
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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 C26H32N6O5S MW 540.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N6O5S/c1-2-3-24(33)31-12-10-29(11-13-31)21-7-5-20(6-8-21)27-26(38)28-25(34)19-4-9-22(23(18-19)32(35)36)30-14-16-37-17-15-30/h4-9,18H,2-3,10-17H2,1H3,(H2,27,28,34,38)InChIKey
TWKUALJWPDJREN-UHFFFAOYSA-NSynonyms
CCCC(=O)N1CCN(CC1)c1ccc(cc1)NC(=S)NC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCOCC1
CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)(N+)(=O)(O)
InChI=1SC26H32N6O5Sc12324(33)31121029(111331)217520(6821)2726(38)2825(34)194922(23(1819)32(35)36)30141637171530h4918H231017H21H3(H227283438)
MFCD07148291
N(((4(4BUTANOYLPIPERAZINYL)PHENYL)AMINO)THIOXOMETHYL)(4MORPHOLIN4YL3NITROPHENYL)CARBOXAMIDE
N((4(4butanoylpiperazin1yl)phenyl)carbamothioyl)4(morpholin4yl)3nitrobenzamide
N((4(4butanoylpiperazin1yl)phenyl)carbamothioyl)4morpholin4yl3nitrobenzamide
ZINC000100986526
ZINC100986526
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