Vitas-M small molecule compound
methyl {6-chloro-7-[(2-methoxy-5-nitrobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate
Catalog ID
STL032919
SMILES COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2)OCc1cc(ccc1OC)[N+](=O)[O-])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 C21H18ClNO8 MW 447.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO8/c1-11-14-7-16(22)19(9-18(14)31-21(25)15(11)8-20(24)29-3)30-10-12-6-13(23(26)27)4-5-17(12)28-2/h4-7,9H,8,10H2,1-3H3InChIKey
NMDLFRTVOPFHJC-UHFFFAOYSA-NSynonyms
573974-29-5573974295
CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC3=C(C=CC(=C3)(N+)(=O)(O))OC)CC(=O)OC
COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2)OCc1cc(ccc1OC)(N+)(=O)(O))Cl
InChI=1SC21H18ClNO8c11114716(22)19(918(14)3121(25)15(11)820(24)293)301012613(23(26)27)4517(12)282h479H810H213H3
methyl(6chloro7((2methoxy5nitrobenzyl)oxy)4methyl2oxo2Hchromen3yl)acetate
methyl2(6chloro7((2methoxy5nitrobenzyl)oxy)4methyl2oxo2Hchromen3yl)acetate
METHYL2(6CHLORO7((2METHOXY5NITROPHENYL)METHOXY)4METHYL2OXOCHROMEN3YL)ACETATE
MFCD04023305
ZINC000009328941
ZINC09328941
ZINC9328941
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