Vitas-M small molecule compound
ethyl [4-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl](oxo)acetate
Catalog ID
STL432062
SMILES CCOC(=O)C(=O)N1CCN(CC1)c1cc2c(cc1[N+](=O)[O-])n(c(=O)n2C)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 C17H21N5O6 MW 391.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N5O6/c1-4-28-16(24)15(23)21-7-5-20(6-8-21)13-9-11-12(10-14(13)22(26)27)19(3)17(25)18(11)2/h9-10H,4-8H2,1-3H3InChIKey
YWKCUEMXKYKEKP-UHFFFAOYSA-NSynonyms
CCOC(=O)C(=O)N1CCN(CC1)c1cc2c(cc1(N+)(=O)(O))n(c(=O)n2C)C
CCOC(=O)C(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)(N+)(=O)(O)
ETHYL(4(13DIMETHYL6NITRO2OXO23DIHYDRO1HBENZIMIDAZOL5YL)1PIPERAZINYL)(OXO)ACETATE
ethyl(4(13dimethyl6nitro2oxo23dihydro1Hbenzimidazol5yl)piperazin1yl)(oxo)acetate
ETHYL2(4(13DIMETHYL6NITRO2OXOBENZIMIDAZOL5YL)PIPERAZIN1YL)2OXOACETATE
InChI=1SC17H21N5O6c142816(24)15(23)217520(6821)1391112(1014(13)22(26)27)19(3)17(25)18(11)2h910H48H213H3
MFCD06005955
ZINC000013152944
ZINC13152944
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