Vitas-M small molecule compound
2-{3-ethoxy-4-[(4-nitrobenzyl)oxy]-5-(prop-2-en-1-yl)benzylidene}-1H-indene-1,3(2H)-dione
Catalog ID
STK160361
SMILES CCOc1cc(cc(c1OCc1ccc(cc1)[N+](=O)[O-])CC=C)/C=C/1\C(=O)c2c(C1=O)cccc2
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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 C28H23NO6 MW 469.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23NO6/c1-3-7-20-14-19(15-24-26(30)22-8-5-6-9-23(22)27(24)31)16-25(34-4-2)28(20)35-17-18-10-12-21(13-11-18)29(32)33/h3,5-6,8-16H,1,4,7,17H2,2H3InChIKey
LRISOTWSGABVHK-UHFFFAOYSA-NSynonyms
2((3ETHOXY4((4NITROPHENYL)METHOXY)5PROP2ENYLPHENYL)METHYLENE)CYCLOPENTA(12A)BENZENE13DIONE
2((3ETHOXY4((4NITROPHENYL)METHOXY)5PROP2ENYLPHENYL)METHYLIDENE)INDENE13DIONE
2(3ETHOXY4((4NITROBENZYL)OXY)5(PROP2EN1YL)BENZYLIDENE)1HINDENE13(2H)DIONE
CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)(N+)(=O)(O))CC=C)C=C3C(=O)C4=CC=CC=C4C3=O
CCOc1cc(cc(c1OCc1ccc(cc1)(N+)(=O)(O))CC=C)C=C1C(=O)c2c(C1=O)cccc2
InChI=1SC28H23NO6c137201419(152426(30)22856923(22)27(24)31)1625(3442)28(20)351718101221(131118)29(32)33h356816H14717H22H3
MFCD03141938
ZINC000002975600
ZINC02975600
ZINC2975600
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