Vitas-M small molecule compound
3-benzyl-4-methyl-7-[(4-nitrobenzyl)oxy]-2H-chromen-2-one
Catalog ID
STL172871
SMILES O=c1oc2cc(OCc3ccc(cc3)[N+](=O)[O-])ccc2c(c1Cc1ccccc1)C
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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 C24H19NO5 MW 401.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19NO5/c1-16-21-12-11-20(29-15-18-7-9-19(10-8-18)25(27)28)14-23(21)30-24(26)22(16)13-17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3InChIKey
RRJQCYZFHOYTLT-UHFFFAOYSA-NSynonyms
353768-62-4353768624
3benzyl4methyl7((4nitrobenzyl)oxy)2Hchromen2one
3BENZYL4METHYL7((4NITROPHENYL)METHOXY)CHROMEN2ONE
3BENZYL7((4NITROBENZYL)OXY)4METHYL2HCHROMEN2ONE
4METHYL7((4NITROPHENYL)METHOXY)3BENZYLCHROMEN2ONE
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)(N+)(=O)(O))CC4=CC=CC=C4
InChI=1SC24H19NO5c11621121120(2915187919(10818)25(27)28)1423(21)3024(26)22(16)13175324617h21214H1315H21H3
MFCD02053764
O=c1oc2cc(OCc3ccc(cc3)(N+)(=O)(O))ccc2c(c1Cc1ccccc1)C
ZINC000002085437
ZINC02085437
ZINC2085437
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