Vitas-M small molecule compound
4-chlorobenzyl N-[(4-methoxy-2-nitrophenyl)sulfonyl]glycylglycinate
Catalog ID
STK328339
SMILES COc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)NCC(=O)NCC(=O)OCc1ccc(cc1)Cl
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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 C18H18ClN3O8S MW 471.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClN3O8S/c1-29-14-6-7-16(15(8-14)22(25)26)31(27,28)21-9-17(23)20-10-18(24)30-11-12-2-4-13(19)5-3-12/h2-8,21H,9-11H2,1H3,(H,20,23)InChIKey
BHICCJBQSBGOGK-UHFFFAOYSA-NSynonyms
881579-71-1(4chlorophenyl)methyl2((2((4methoxy2nitrophenyl)sulfonylamino)acetyl)amino)acetate
4chlorobenzylN((4methoxy2nitrophenyl)sulfonyl)glycylglycinate
881579711
COC1=CC(=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OCC2=CC=C(C=C2)Cl)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))S(=O)(=O)NCC(=O)NCC(=O)OCc1ccc(cc1)Cl
InChI=1SC18H18ClN3O8Sc129146716(15(814)22(25)26)31(2728)21917(23)201018(24)3011122413(19)5312h2821H911H21H3(H2023)
MFCD08554888
ZINC000023374988
ZINC23374988
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