Vitas-M small molecule compound

diethyl (6Z)-2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-(2-phenylhydrazinylidene)cyclohexane-1,3-dicarboxylate

Catalog ID
STK373586
SMILES CCOC(=O)C1/C(=N\Nc2ccccc2)/CC(C(C1c1ccc2c(c1)OCO2)C(=O)OCC)(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 C26H30N2O7 MW 482.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O7/c1-4-32-24(29)22-18(28-27-17-9-7-6-8-10-17)14-26(3,31)23(25(30)33-5-2)21(22)16-11-12-19-20(13-16)35-15-34-19/h6-13,21-23,27,31H,4-5,14-15H2,1-3H3/b28-18-
InChIKey
IICTUWQEJNGWCU-VEILYXNESA-N
Synonyms

CCOC(=O)C1C(=NNc2ccccc2)CC(C(C1c1ccc2c(c1)OCO2)C(=O)OCC)(C)O
CCOC(=O)C1C(C(C(CC1=NNC2=CC=CC=C2)(C)O)C(=O)OCC)C3=CC4=C(C=C3)OCO4
diethyl(6Z)2(13benzodioxol5yl)4hydroxy4methyl6(2phenylhydrazinylidene)cyclohexane13dicarboxylate
DIETHYL(6Z)2(13BENZODIOXOL5YL)4HYDROXY4METHYL6(PHENYLHYDRAZINYLIDENE)CYCLOHEXANE13DICARBOXYLATE
ETHYL6(2HBENZO(34D)13DIOXOLAN5YL)5(ETHOXYCARBONYL)2HYDROXY2METHYL4((PHENYLAMINO)AZAMETHYLENE)CYCLOHEXANECARBOXYLATE
InChI=1SC26H30N2O7c143224(29)2218(28271797681017)1426(331)23(25(30)3352)21(22)1611121920(1316)35153419h61321232731H451415H213H3b2818
MFCD00785457
ZINC000004108614
ZINC000137913110

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Available files

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