Vitas-M small molecule compound
ethyl 3-{6-chloro-4-methyl-7-[(4-nitrobenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoate
Catalog ID
STL032918
SMILES CCOC(=O)CCc1c(=O)oc2c(c1C)cc(c(c2)OCc1ccc(cc1)[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 C22H20ClNO7 MW 445.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO7/c1-3-29-21(25)9-8-16-13(2)17-10-18(23)20(11-19(17)31-22(16)26)30-12-14-4-6-15(7-5-14)24(27)28/h4-7,10-11H,3,8-9,12H2,1-2H3InChIKey
CAGNVRCBQRMAHG-UHFFFAOYSA-NSynonyms
573943-50-7573943507
CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OCC3=CC=C(C=C3)(N+)(=O)(O))Cl)C
CCOC(=O)CCc1c(=O)oc2c(c1C)cc(c(c2)OCc1ccc(cc1)(N+)(=O)(O))Cl
ethyl3(6chloro4methyl7((4nitrobenzyl)oxy)2oxo2Hchromen3yl)propanoate
ETHYL3(6CHLORO4METHYL7((4NITROPHENYL)METHOXY)2OXOCHROMEN3YL)PROPANOATE
InChI=1SC22H20ClNO7c132921(25)981613(2)171018(23)20(1119(17)3122(16)26)3012144615(7514)24(27)28h471011H38912H212H3
MFCD04020719
ZINC000001122043
ZINC01122043
ZINC1122043
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