Vitas-M small molecule compound
methyl {4,8-dimethyl-7-[(4-nitrobenzyl)oxy]-2-oxo-2H-chromen-3-yl}acetate
Catalog ID
STK829461
SMILES COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C)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 C21H19NO7 MW 397.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO7/c1-12-16-8-9-18(28-11-14-4-6-15(7-5-14)22(25)26)13(2)20(16)29-21(24)17(12)10-19(23)27-3/h4-9H,10-11H2,1-3H3InChIKey
FEISUNIEACALPZ-UHFFFAOYSA-NSynonyms
673497-79-5673497795
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(C=C3)(N+)(=O)(O))CC(=O)OC
COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C)OCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H19NO7c112168918(2811144615(7514)22(25)26)13(2)20(16)2921(24)17(12)1019(23)273h49H1011H213H3
methyl(48dimethyl7((4nitrobenzyl)oxy)2oxo2Hchromen3yl)acetate
methyl2(48dimethyl7((4nitrobenzyl)oxy)2oxo2Hchromen3yl)acetate
METHYL2(48DIMETHYL7((4NITROPHENYL)METHOXY)2OXOCHROMEN3YL)ACETATE
MFCD04008479
ZINC000001115102
ZINC01115102
ZINC1115102
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