Vitas-M small molecule compound
3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl 3-nitrobenzoate
Catalog ID
STK869621
SMILES COc1cc(ccc1OC)CCn1c2ccc(cc2c(c1C)C(=O)C)OC(=O)c1cccc(c1)[N+](=O)[O-]
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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 C28H26N2O7 MW 502.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O7/c1-17-27(18(2)31)23-16-22(37-28(32)20-6-5-7-21(15-20)30(33)34)9-10-24(23)29(17)13-12-19-8-11-25(35-3)26(14-19)36-4/h5-11,14-16H,12-13H2,1-4H3InChIKey
JDXXMEPRMFGENN-UHFFFAOYSA-NSynonyms
(3acetyl1(2(34dimethoxyphenyl)ethyl)2methylindol5yl)3nitrobenzoate
3acetyl1(2(34dimethoxyphenyl)ethyl)2methyl1Hindol5yl3nitrobenzoate
3acetyl1(34dimethoxyphenethyl)2methyl1Hindol5yl3nitrobenzoate
CC1=C(C2=C(N1CCC3=CC(=C(C=C3)OC)OC)C=CC(=C2)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)C
COc1cc(ccc1OC)CCn1c2ccc(cc2c(c1C)C(=O)C)OC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC28H26N2O7c11727(18(2)31)231622(3728(32)2065721(1520)30(33)34)91024(23)29(17)13121981125(353)26(1419)364h5111416H1213H214H3
MFCD01238183
ZINC000000972646
ZINC00972646
ZINC972646
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