Vitas-M small molecule compound
1,3-dimethyl-5-(4-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}piperazin-1-yl)-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STK172036
SMILES Cc1nonc1OCCN1CCN(CC1)c1cc2n(C)c(=O)n(c2cc1[N+](=O)[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 C18H23N7O5 MW 417.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N7O5/c1-12-17(20-30-19-12)29-9-8-23-4-6-24(7-5-23)15-10-13-14(11-16(15)25(27)28)22(3)18(26)21(13)2/h10-11H,4-9H2,1-3H3InChIKey
IXYOIVZPVGUAFB-UHFFFAOYSA-NSynonyms
13DIMETHYL5(4(2((4METHYL125OXADIAZOL3YL)OXY)ETHYL)PIPERAZIN1YL)6NITRO13DIHYDRO2HBENZIMIDAZOL2ONE
13DIMETHYL5(4(2((4METHYL125OXADIAZOL3YL)OXY)ETHYL)PIPERAZIN1YL)6NITROBENZIMIDAZOL2ONE
CC1=NON=C1OCCN2CCN(CC2)C3=C(C=C4C(=C3)N(C(=O)N4C)C)(N+)(=O)(O)
Cc1nonc1OCCN1CCN(CC1)c1cc2n(C)c(=O)n(c2cc1(N+)(=O)(O))C
InChI=1SC18H23N7O5c11217(20301912)2998234624(7523)15101314(1116(15)25(27)28)22(3)18(26)21(13)2h1011H49H213H3
MFCD05661672
ZINC000055231662
ZINC55231662
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