Vitas-M small molecule compound
2-[(1E)-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}prop-1-en-1-yl]-3-nitro-1-benzofuran-5-ol
Catalog ID
STK535042
SMILES COc1cc(CCN/C(=C/c2oc3c(c2[N+](=O)[O-])cc(cc3)O)/C)ccc1OC
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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 C21H22N2O6 MW 398.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O6/c1-13(22-9-8-14-4-6-18(27-2)19(11-14)28-3)10-20-21(23(25)26)16-12-15(24)5-7-17(16)29-20/h4-7,10-12,22,24H,8-9H2,1-3H3/b13-10+InChIKey
XDPNLBPFZPQMPY-JLHYYAGUSA-NSynonyms
128944-29-6(E)2(2((34dimethoxyphenethyl)amino)prop1en1yl)3nitrobenzofuran5ol
128944296
2((1E)2((2(34dimethoxyphenyl)ethyl)amino)prop1en1yl)3nitro1benzofuran5ol
2((E)2(2(34DIMETHOXYPHENYL)ETHYLAMINO)PROP1ENYL)3NITRO1BENZOFURAN5OL
2(2((2(34DIMETHOXYPHENYL)ETHYL)AMINO)1PROPENYL)3NITRO1BENZOFURAN5OL
CC(=CC1=C(C2=C(O1)C=CC(=C2)O)(N+)(=O)(O))NCCC3=CC(=C(C=C3)OC)OC
COc1cc(CCNC(=Cc2oc3c(c2(N+)(=O)(O))cc(cc3)O)C)ccc1OC
InChI=1SC21H22N2O6c113(2298144618(272)19(1114)283)102021(23(25)26)161215(24)5717(16)2920h4710122224H89H213H3b1310+
MFCD01241862
ZINC000100648828
ZINC100648828
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