Vitas-M small molecule compound
ethyl 4-(4-acetylpiperazin-1-yl)-3-({[3-nitro-4-(pyrrolidin-1-yl)phenyl]carbonyl}amino)benzoate
Catalog ID
STK183530
SMILES CCOC(=O)c1ccc(c(c1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)N1CCN(CC1)C(=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 C26H31N5O6 MW 509.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5O6/c1-3-37-26(34)20-7-8-22(30-14-12-28(13-15-30)18(2)32)21(16-20)27-25(33)19-6-9-23(24(17-19)31(35)36)29-10-4-5-11-29/h6-9,16-17H,3-5,10-15H2,1-2H3,(H,27,33)InChIKey
HEZDXLPWPXAWSD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)NC(=O)C3=CC(=C(C=C3)N4CCCC4)(N+)(=O)(O)
CCOC(=O)c1ccc(c(c1)NC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCCC1)N1CCN(CC1)C(=O)C
ETHYL4(4ACETYLPIPERAZIN1YL)3(((3NITRO4(PYRROLIDIN1YL)PHENYL)CARBONYL)AMINO)BENZOATE
ethyl4(4acetylpiperazin1yl)3((3nitro4pyrrolidin1ylbenzoyl)amino)benzoate
InChI=1SC26H31N5O6c133726(34)207822(30141228(131530)18(2)32)21(1620)2725(33)196923(24(1719)31(35)36)2910451129h691617H351015H212H3(H2733)
MFCD06664417
ZINC000009906184
ZINC09906184
ZINC9906184
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