Vitas-M small molecule compound
methyl 3-(2,5-dimethyl-3-{(E)-[2-(naphtho[2,1-b]furan-2-ylcarbonyl)hydrazinylidene]methyl}-1H-pyrrol-1-yl)benzoate
Catalog ID
STL384032
SMILES COC(=O)c1cccc(c1)n1c(C)cc(c1C)/C=N/NC(=O)c1oc2c(c1)c1ccccc1cc2
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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 C28H23N3O4 MW 465.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O4/c1-17-13-21(18(2)31(17)22-9-6-8-20(14-22)28(33)34-3)16-29-30-27(32)26-15-24-23-10-5-4-7-19(23)11-12-25(24)35-26/h4-16H,1-3H3,(H,30,32)/b29-16+InChIKey
XKTKWTQNBMNFFH-MUFRIFMGSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=NNC(=O)C3=CC4=C(O3)C=CC5=CC=CC=C54
COC(=O)c1cccc(c1)n1c(C)cc(c1C)C=NNC(=O)c1oc2c(c1)c1ccccc1cc2
InChI=1SC28H23N3O4c1171321(18(2)31(17)2296820(1422)28(33)343)16293027(32)261524231054719(23)111225(24)3526h416H13H3(H3032)b2916+
methyl3(25dimethyl3((E)(2(naphtho(21b)furan2ylcarbonyl)hydrazinylidene)methyl)1Hpyrrol1yl)benzoate
METHYL3(3((E)(BENZO(E)(1)BENZOFURAN2CARBONYLHYDRAZINYLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
MFCD03236089
ZINC000015018555
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