Vitas-M small molecule compound
2-(3,4-dimethylphenyl)-2-oxoethyl 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoate
Catalog ID
STK253278
SMILES O=C(C(N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])Cc1ccccc1)OCC(=O)c1ccc(c(c1)C)C
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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 C27H22N2O7 MW 486.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O7/c1-16-11-12-19(13-17(16)2)23(30)15-36-27(33)22(14-18-7-4-3-5-8-18)28-25(31)20-9-6-10-21(29(34)35)24(20)26(28)32/h3-13,22H,14-15H2,1-2H3InChIKey
PSIPSRHIAMICGQ-UHFFFAOYSA-NSynonyms
(2(34DIMETHYLPHENYL)2OXOETHYL)2(4NITRO13DIOXOISOINDOL2YL)3PHENYLPROPANOATE
2(34DIMETHYLPHENYL)2OXOETHYL2(4NITRO13DIOXO13DIHYDRO2HISOINDOL2YL)3PHENYLPROPANOATE
CC1=C(C=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)(N+)(=O)(O))C
InChI=1SC27H22N2O7c116111219(1317(16)2)23(30)153627(33)22(14187435818)2825(31)20961021(29(34)35)24(20)26(28)32h31322H1415H212H3
MFCD02914484
O=C(C(N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O))Cc1ccccc1)OCC(=O)c1ccc(c(c1)C)C
ZINC000001176373
ZINC000001176374
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