Vitas-M small molecule compound
4-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-3,4-dihydro-2H,5H-pyrano[3,2-c]chromene-2,5-dione
Catalog ID
STK781258
SMILES COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])C1CC(=O)Oc2c1c(=O)oc1c2cccc1
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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 C27H21NO8 MW 487.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO8/c1-15-11-18(8-9-21(15)28(31)32)34-14-17-12-16(7-10-22(17)33-2)20-13-24(29)36-26-19-5-3-4-6-23(19)35-27(30)25(20)26/h3-12,20H,13-14H2,1-2H3InChIKey
MRGZFASGRKMTAN-UHFFFAOYSA-NSynonyms
4(4methoxy3((3methyl4nitrophenoxy)methyl)phenyl)34dihydro2H5Hpyrano(32c)chromene25dione
4(4METHOXY3((3METHYL4NITROPHENOXY)METHYL)PHENYL)34DIHYDROPYRANO(32C)CHROMENE25DIONE
CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C3CC(=O)OC4=C3C(=O)OC5=CC=CC=C54)OC)(N+)(=O)(O)
COc1ccc(cc1COc1ccc(c(c1)C)(N+)(=O)(O))C1CC(=O)Oc2c1c(=O)oc1c2cccc1
InChI=1SC27H21NO8c1151118(8921(15)28(31)32)3414171216(71022(17)332)201324(29)362619534623(19)3527(30)25(20)26h31220H1314H212H3
MFCD06014759
ZINC000012445982
ZINC000012445984
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