Vitas-M small molecule compound
methyl (5E)-2,2-dimethyl-4,6-dioxo-5-{1-[2-(phenanthridin-6-yl)hydrazinyl]dodecylidene}cyclohexanecarboxylate
Catalog ID
STK568222
SMILES CCCCCCCCCCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/NNc1nc2ccccc2c2c1cccc2
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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 C35H45N3O4 MW 571.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H45N3O4/c1-5-6-7-8-9-10-11-12-13-22-28(30-29(39)23-35(2,3)31(32(30)40)34(41)42-4)37-38-33-26-20-15-14-18-24(26)25-19-16-17-21-27(25)36-33/h14-21,31,37H,5-13,22-23H2,1-4H3,(H,36,38)/b30-28+InChIKey
OCJBYROIEDTESB-SJCQXOIGSA-NSynonyms
(E)methyl22dimethyl46dioxo5(1(2(phenanthridin6yl)hydrazinyl)dodecylidene)cyclohexanecarboxylate
CCCCCCCCCCCC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)NNc1nc2ccccc2c2c1cccc2
CCCCCCCCCCCC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)NNC2=NC3=CC=CC=C3C4=CC=CC=C42
InChI=1SC35H45N3O4c156789101112132228(3029(39)2335(23)31(32(30)40)34(41)424)373833262015141824(26)251916172127(25)3633h14213137H5132223H214H3(H3638)b3028+
methyl(5E)22dimethyl46dioxo5(1(2(phenanthridin6yl)hydrazinyl)dodecylidene)cyclohexanecarboxylate
METHYL(5E)22DIMETHYL46DIOXO5(1(2PHENANTHRIDIN6YLHYDRAZINYL)DODECYLIDENE)CYCLOHEXANE1CARBOXYLATE
MFCD00517631
ZINC000102551197
ZINC000102551206
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