Vitas-M small molecule compound

diprop-2-en-1-yl 6-hydroxy-6-methyl-2-(3-nitrophenyl)-4-[(2-phenylethyl)amino]cyclohex-3-ene-1,3-dicarboxylate

Catalog ID
STK691648
SMILES C=CCOC(=O)C1=C(NCCc2ccccc2)CC(C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCC=C)(C)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 C29H32N2O7 MW 520.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O7/c1-4-16-37-27(32)25-23(30-15-14-20-10-7-6-8-11-20)19-29(3,34)26(28(33)38-17-5-2)24(25)21-12-9-13-22(18-21)31(35)36/h4-13,18,24,26,30,34H,1-2,14-17,19H2,3H3
InChIKey
YOQQLYYHPJJUJD-UHFFFAOYSA-N
Synonyms
1014091-11-2
1014091112
bis(prop2enyl)6hydroxy6methyl2(3nitrophenyl)4(2phenylethylamino)cyclohex3ene13dicarboxylate
C=CCOC(=O)C1=C(NCCc2ccccc2)CC(C(C1c1cccc(c1)(N+)(=O)(O))C(=O)OCC=C)(C)O
CC1(CC(=C(C(C1C(=O)OCC=C)C2=CC(=CC=C2)(N+)(=O)(O))C(=O)OCC=C)NCCC3=CC=CC=C3)O
diprop2en1yl6hydroxy6methyl2(3nitrophenyl)4((2phenylethyl)amino)cyclohex3ene13dicarboxylate
InChI=1SC29H32N2O7c14163727(32)2523(30151420107681120)1929(334)26(28(33)381752)24(25)211291322(1821)31(35)36h4131824263034H12141719H23H3
MFCD10037748
ZINC000022172726
ZINC000245257357

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Available files

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