Vitas-M small molecule compound
ethyl 4-(4-ethylpiperazin-1-yl)-3-({[3-nitro-4-(piperidin-1-yl)phenyl]carbonyl}amino)benzoate
Catalog ID
STK189169
SMILES CCOC(=O)c1ccc(c(c1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1)N1CCN(CC1)CC
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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 C27H35N5O5 MW 509.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N5O5/c1-3-29-14-16-31(17-15-29)23-10-9-21(27(34)37-4-2)18-22(23)28-26(33)20-8-11-24(25(19-20)32(35)36)30-12-6-5-7-13-30/h8-11,18-19H,3-7,12-17H2,1-2H3,(H,28,33)InChIKey
CXNZBWBSWHLTJU-UHFFFAOYSA-NSynonyms
CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)(N+)(=O)(O)
CCOC(=O)c1ccc(c(c1)NC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCCCC1)N1CCN(CC1)CC
ETHYL4(4ETHYLPIPERAZIN1YL)3(((3NITRO4(PIPERIDIN1YL)PHENYL)CARBONYL)AMINO)BENZOATE
ethyl4(4ethylpiperazin1yl)3((3nitro4piperidin1ylbenzoyl)amino)benzoate
InChI=1SC27H35N5O5c1329141631(171529)2310921(27(34)3742)1822(23)2826(33)2081124(25(1920)32(35)36)30126571330h8111819H371217H212H3(H2833)
MFCD06665250
ZINC000009908032
ZINC9908032
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