Vitas-M small molecule compound

2-(4-methylphenyl)-2-oxoethyl 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoate

Catalog ID
STK252856
SMILES Cc1ccc(cc1)C(=O)COC(=O)C(N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])Cc1ccccc1

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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 C26H20N2O7 MW 472.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O7/c1-16-10-12-18(13-11-16)22(29)15-35-26(32)21(14-17-6-3-2-4-7-17)27-24(30)19-8-5-9-20(28(33)34)23(19)25(27)31/h2-13,21H,14-15H2,1H3
InChIKey
RBVNAHSIQFBBKQ-UHFFFAOYSA-N
Synonyms

(2(4METHYLPHENYL)2OXOETHYL)2(4NITRO13DIOXOISOINDOL2YL)3PHENYLPROPANOATE
2(4METHYLPHENYL)2OXOETHYL(2R)2(4NITRO13DIOXO13DIHYDRO2HISOINDOL2YL)3PHENYLPROPANOATE
2(4METHYLPHENYL)2OXOETHYL(2S)2(4NITRO13DIOXO13DIHYDRO2HISOINDOL2YL)3PHENYLPROPANOATE
2(4METHYLPHENYL)2OXOETHYL2(4NITRO13DIOXO13DIHYDRO2HISOINDOL2YL)3PHENYLPROPANOATE
2(4METHYLPHENYL)2OXOETHYL2(4NITRO13DIOXOBENZO(C)AZOLIN2YL)3PHENYLPROPANOATE
CC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)(N+)(=O)(O)
Cc1ccc(cc1)C(=O)COC(=O)C(N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O))Cc1ccccc1
InChI=1SC26H20N2O7c116101218(131116)22(29)153526(32)21(14176324717)2724(30)1985920(28(33)34)23(19)25(27)31h21321H1415H21H3
MFCD02614283
ZINC000000971815
ZINC000000971816

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Available files

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