Vitas-M small molecule compound
ethyl 4-{3-[(E)-{2-[(1,3-benzodioxol-5-ylamino)acetyl]hydrazinylidene}methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate (non-preferred name)
Catalog ID
STL368441
SMILES CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=N/NC(=O)CNc1ccc2c(c1)OCO2
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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 C25H26N4O5 MW 462.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O5/c1-4-32-25(31)18-5-8-21(9-6-18)29-16(2)11-19(17(29)3)13-27-28-24(30)14-26-20-7-10-22-23(12-20)34-15-33-22/h5-13,26H,4,14-15H2,1-3H3,(H,28,30)/b27-13+InChIKey
BUDIAXUBVWHJBM-UVHMKAGCSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)CNC3=CC4=C(C=C3)OCO4)C
CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=NNC(=O)CNc1ccc2c(c1)OCO2
ethyl4(3((E)((2(13benzodioxol5ylamino)acetyl)hydrazinylidene)methyl)25dimethylpyrrol1yl)benzoate
ethyl4(3((E)(2((13benzodioxol5ylamino)acetyl)hydrazinylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate(nonpreferredname)
InChI=1SC25H26N4O5c143225(31)185821(9618)2916(2)1119(17(29)3)13272824(30)1426207102223(1220)34153322h51326H41415H213H3(H2830)b2713+
MFCD09440655
ZINC000014257452
ZINC96836118
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