Vitas-M small molecule compound

5-methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl benzene-1,2-dicarboxylate

Catalog ID
STK247106
SMILES CC1CCC(C(C1)OC(=O)c1ccccc1C(=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 C26H29NO7 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO7/c1-16(2)20-13-8-17(3)14-24(20)34-26(30)22-7-5-4-6-21(22)25(29)33-15-23(28)18-9-11-19(12-10-18)27(31)32/h4-7,9-12,16-17,20,24H,8,13-15H2,1-3H3
InChIKey
WKFVJEUYHNQGMM-UHFFFAOYSA-N
Synonyms

1(2(4NITROPHENYL)2OXOETHYL)2(2ISOPROPYL5METHYLCYCLOHEXYL)PHTHALATE
2O(5METHYL2PROPAN2YLCYCLOHEXYL)1O(2(4NITROPHENYL)2OXOETHYL)BENZENE12DICARBOXYLATE
5METHYL2(METHYLETHYL)CYCLOHEXYL2((2(4NITROPHENYL)2OXOETHYL)OXYCARBONYL)BENZOATE
5METHYL2(PROPAN2YL)CYCLOHEXYL2(4NITROPHENYL)2OXOETHYLBENZENE12DICARBOXYLATE
CC1CCC(C(C1)OC(=O)c1ccccc1C(=O)OCC(=O)c1ccc(cc1)(N+)(=O)(O))C(C)C
CC1CCC(C(C1)OC(=O)C2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C(C)C
InChI=1SC26H29NO7c116(2)2013817(3)1424(20)3426(30)22754621(22)25(29)331523(28)1891119(121018)27(31)32h4791216172024H81315H213H3
MFCD01138194
ZINC000008449349
ZINC000012318973

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Available files

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