Vitas-M small molecule compound

3-{5-[(E)-{2-[4,6-di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]furan-2-yl}benzoic acid

Catalog ID
STK098133
SMILES OC(=O)c1cccc(c1)c1ccc(o1)/C=N/Nc1nc(nc(n1)N1CCCC1)N1CCCC1

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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 C23H25N7O3 MW 447.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N7O3/c31-20(32)17-7-5-6-16(14-17)19-9-8-18(33-19)15-24-28-21-25-22(29-10-1-2-11-29)27-23(26-21)30-12-3-4-13-30/h5-9,14-15H,1-4,10-13H2,(H,31,32)(H,25,26,27,28)/b24-15+
InChIKey
JUHLHZLQAOJQGK-BUVRLJJBSA-N
Synonyms

(E)3(5((2(46di(pyrrolidin1yl)135triazin2yl)hydrazono)methyl)furan2yl)benzoicacid
3(5((E)((46dipyrrolidin1yl135triazin2yl)hydrazinylidene)methyl)furan2yl)benzoicacid
3(5((E)(2(46DI(PYRROLIDIN1YL)135TRIAZIN2YL)HYDRAZINYLIDENE)METHYL)FURAN2YL)BENZOICACID
3(5(2(46DI(1PYRROLIDINYL)135TRIAZIN2YL)CARBOHYDRAZONOYL)2FURYL)BENZOICACID
C1CCN(C1)C2=NC(=NC(=N2)NN=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)N5CCCC5
InChI=1SC23H25N7O3c3120(32)1775616(1417)199818(3319)152428212522(2910121129)2723(2621)3012341330h591415H141013H2(H3132)(H25262728)b2415+
MFCD02630492
OC(=O)c1cccc(c1)c1ccc(o1)C=NNc1nc(nc(n1)N1CCCC1)N1CCCC1
STK098133
ZINC000008742856
ZINC34388211

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.