Vitas-M small molecule compound
4-[(E)-{2-[4,6-di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]phenyl 4-fluorobenzoate
Catalog ID
STL428211
SMILES O=C(c1ccc(cc1)F)Oc1ccc(cc1)/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 C25H26FN7O2 MW 475.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26FN7O2/c26-20-9-7-19(8-10-20)22(34)35-21-11-5-18(6-12-21)17-27-31-23-28-24(32-13-1-2-14-32)30-25(29-23)33-15-3-4-16-33/h5-12,17H,1-4,13-16H2,(H,28,29,30,31)/b27-17+InChIKey
IHEOIPPADPSAEU-WPWMEQJKSA-NSynonyms
(4((E)((46dipyrrolidin1yl135triazin2yl)hydrazinylidene)methyl)phenyl)4fluorobenzoate
4((1E)2((46DIPYRROLIDINYL(135TRIAZIN2YL))AMINO)2AZAVINYL)PHENYL4FLUOROBENZOATE
4((E)(2(46di(pyrrolidin1yl)135triazin2yl)hydrazinylidene)methyl)phenyl4fluorobenzoate
C1CCN(C1)C2=NC(=NC(=N2)NN=CC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)F)N5CCCC5
InChI=1SC25H26FN7O2c26209719(81020)22(34)352111518(61221)172731232824(3213121432)3025(2923)3315341633h51217H141316H2(H28293031)b2717+
MFCD01361235
O=C(c1ccc(cc1)F)Oc1ccc(cc1)C=NNc1nc(nc(n1)N1CCCC1)N1CCCC1
ZINC000009296717
ZINC33627065
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