Vitas-M small molecule compound
3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl 2-nitrobenzoate
Catalog ID
STK869618
SMILES COc1cc(ccc1OC)CCn1c2ccc(cc2c(c1C)C(=O)C)OC(=O)c1ccccc1[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)22-16-20(37-28(32)21-7-5-6-8-24(21)30(33)34)10-11-23(22)29(17)14-13-19-9-12-25(35-3)26(15-19)36-4/h5-12,15-16H,13-14H2,1-4H3InChIKey
CRDWSJIURSKSQS-UHFFFAOYSA-NSynonyms
312528-62-4(3ACETYL1(2(34DIMETHOXYPHENYL)ETHYL)2METHYLINDOL5YL)2NITROBENZOATE
312528624
3acetyl1(2(34dimethoxyphenyl)ethyl)2methyl1Hindol5yl2nitrobenzoate
3acetyl1(34dimethoxyphenethyl)2methyl1Hindol5yl2nitrobenzoate
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)c1ccccc1(N+)(=O)(O)
InChI=1SC28H26N2O7c11727(18(2)31)221620(3728(32)21756824(21)30(33)34)101123(22)29(17)14131991225(353)26(1519)364h5121516H1314H214H3
MFCD01238948
ZINC000000999198
ZINC00999198
ZINC999198
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