Vitas-M small molecule compound
7-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-6H,7H,8H-pyrano[3,2-c:5,6-c']dichromene-6,8-dione
Catalog ID
STK527542
SMILES COc1ccc(cc1Cn1ncc(c1)[N+](=O)[O-])C1c2c(=O)oc3c(c2Oc2c1c(=O)oc1c2cccc1)cccc3
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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 C30H19N3O8 MW 549.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H19N3O8/c1-38-21-11-10-16(12-17(21)14-32-15-18(13-31-32)33(36)37)24-25-27(19-6-2-4-8-22(19)39-29(25)34)41-28-20-7-3-5-9-23(20)40-30(35)26(24)28/h2-13,15,24H,14H2,1H3InChIKey
CKUPZMMTRPCXPP-UHFFFAOYSA-NSynonyms
7(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)6H7H8Hpyrano(32c56c)dichromene68dione
7(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)6Hpyrano(32c56c)dichromene68(7H)dione
COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4OC3=O)OC5=C2C(=O)OC6=CC=CC=C65)CN7C=C(C=N7)(N+)(=O)(O)
COc1ccc(cc1Cn1ncc(c1)(N+)(=O)(O))C1c2c(=O)oc3c(c2Oc2c1c(=O)oc1c2cccc1)cccc3
InChI=1SC30H19N3O8c13821111016(1217(21)14321518(133132)33(36)37)242527(19624822(19)3929(25)34)412820735923(20)4030(35)26(24)28h2131524H14H21H3
MFCD02164160
ZINC000097950377
ZINC97950377
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