Vitas-M small molecule compound
1,3-dimethyl-5-nitro-6-(4-{[4-(propan-2-yl)phenyl]carbonyl}piperazin-1-yl)-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STK172452
SMILES O=C(c1ccc(cc1)C(C)C)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 C23H27N5O4 MW 437.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O4/c1-15(2)16-5-7-17(8-6-16)22(29)27-11-9-26(10-12-27)20-13-18-19(14-21(20)28(31)32)25(4)23(30)24(18)3/h5-8,13-15H,9-12H2,1-4H3InChIKey
MDIYXVJVIGXZIV-UHFFFAOYSA-NSynonyms
13DIMETHYL5NITRO6(4((4(PROPAN2YL)PHENYL)CARBONYL)PIPERAZIN1YL)13DIHYDRO2HBENZIMIDAZOL2ONE
13DIMETHYL5NITRO6(4(4PROPAN2YLBENZOYL)PIPERAZIN1YL)BENZIMIDAZOL2ONE
CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C(=O)N4C)C)(N+)(=O)(O)
InChI=1SC23H27N5O4c115(2)165717(8616)22(29)2711926(101227)20131819(1421(20)28(31)32)25(4)23(30)24(18)3h581315H912H214H3
MFCD05134229
O=C(c1ccc(cc1)C(C)C)N1CCN(CC1)c1cc2c(cc1(N+)(=O)(O))n(c(=O)n2C)C
ZINC000009892004
ZINC09892004
ZINC9892004
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