Vitas-M small molecule compound
3-(1H-benzimidazol-2-yl)propyl 4-nitrobenzoate
Catalog ID
STL170638
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])OCCCc1nc2c([nH]1)cccc2
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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 C17H15N3O4 MW 325.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O4/c21-17(12-7-9-13(10-8-12)20(22)23)24-11-3-6-16-18-14-4-1-2-5-15(14)19-16/h1-2,4-5,7-10H,3,6,11H2,(H,18,19)InChIKey
NZRYFSHUOXNTAL-UHFFFAOYSA-NSynonyms
3(1Hbenzimidazol2yl)propyl4nitrobenzoate
3BENZIMIDAZOL2YLPROPYL4NITROBENZOATE
4NITROBENZOICACID3(1HBENZOIMIDAZOL2YL)PROPYLESTER
C1=CC=C2C(=C1)NC(=N2)CCCOC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC17H15N3O4c2117(127913(10812)20(22)23)241136161814412515(14)1916h1245710H3611H2(H1819)
MFCD00608312
O=C(c1ccc(cc1)(N+)(=O)(O))OCCCc1nc2c((nH)1)cccc2
ZINC000002028918
ZINC02028918
ZINC2028918
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