Vitas-M small molecule compound
ethyl 4-(2,5-dimethyl-3-{(E)-[2-(naphthalen-2-ylcarbonyl)hydrazinylidene]methyl}-1H-pyrrol-1-yl)benzoate
Catalog ID
STK200485
SMILES CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=N/NC(=O)c1ccc2c(c1)cccc2
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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 C27H25N3O3 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O3/c1-4-33-27(32)21-11-13-25(14-12-21)30-18(2)15-24(19(30)3)17-28-29-26(31)23-10-9-20-7-5-6-8-22(20)16-23/h5-17H,4H2,1-3H3,(H,29,31)/b28-17+InChIKey
IGQDDMDVZNLRCF-OGLMXYFKSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC4=CC=CC=C4C=C3)C
CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=NNC(=O)c1ccc2c(c1)cccc2
ETHYL4(25DIMETHYL3((E)(2(NAPHTHALEN2YLCARBONYL)HYDRAZINYLIDENE)METHYL)1HPYRROL1YL)BENZOATE
ethyl4(25dimethyl3((E)(naphthalene2carbonylhydrazinylidene)methyl)pyrrol1yl)benzoate
InChI=1SC27H25N3O3c143327(32)21111325(141221)3018(2)1524(19(30)3)17282926(31)2310920756822(20)1623h517H4H213H3(H2931)b2817+
MFCD01611382
ZINC000009311075
ZINC96585891
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