Vitas-M small molecule compound
4-nitrobenzyl (1H-benzimidazol-2-ylsulfanyl)acetate
Catalog ID
STK346413
SMILES O=C(CSc1nc2c([nH]1)cccc2)OCc1ccc(cc1)[N+](=O)[O-]
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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 C16H13N3O4S MW 343.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O4S/c20-15(23-9-11-5-7-12(8-6-11)19(21)22)10-24-16-17-13-3-1-2-4-14(13)18-16/h1-8H,9-10H2,(H,17,18)InChIKey
SQGLMEZBYGPHJG-UHFFFAOYSA-NSynonyms
(4NITROPHENYL)METHYL2(1HBENZIMIDAZOL2YLSULFANYL)ACETATE
4nitrobenzyl(1Hbenzimidazol2ylsulfanyl)acetate
C1=CC=C2C(=C1)NC(=N2)SCC(=O)OCC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC16H13N3O4Sc2015(239115712(8611)19(21)22)1024161713312414(13)1816h18H910H2(H1718)
MFCD01439152
O=C(CSc1nc2c((nH)1)cccc2)OCc1ccc(cc1)(N+)(=O)(O)
ZINC000006424119
ZINC06424119
ZINC6424119
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