Vitas-M small molecule compound

5-methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate

Catalog ID
STK252514
SMILES CC1CCC(C(C1)OC(=O)CCC(=O)OCC(=O)c1ccc(cc1)[N+](=O)[O-])C(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 C22H29NO7 MW 419.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO7/c1-14(2)18-9-4-15(3)12-20(18)30-22(26)11-10-21(25)29-13-19(24)16-5-7-17(8-6-16)23(27)28/h5-8,14-15,18,20H,4,9-13H2,1-3H3
InChIKey
XWUWJQFHHRAQMX-UHFFFAOYSA-N
Synonyms

1(2(4NITROPHENYL)2OXOETHYL)4(2ISOPROPYL5METHYLCYCLOHEXYL)SUCCINATE
4O(5METHYL2PROPAN2YLCYCLOHEXYL)1O(2(4NITROPHENYL)2OXOETHYL)BUTANEDIOATE
5METHYL2(METHYLETHYL)CYCLOHEXYL2(4NITROPHENYL)2OXOETHYLBUTANE14DIOATE
5METHYL2(PROPAN2YL)CYCLOHEXYL2(4NITROPHENYL)2OXOETHYLBUTANEDIOATE
CC1CCC(C(C1)OC(=O)CCC(=O)OCC(=O)c1ccc(cc1)(N+)(=O)(O))C(C)C
CC1CCC(C(C1)OC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C(C)C
InChI=1SC22H29NO7c114(2)189415(3)1220(18)3022(26)111021(25)291319(24)165717(8616)23(27)28h5814151820H4913H213H3
MFCD01616587
ZINC000004179318
ZINC000012319016

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Available files

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