Vitas-M small molecule compound
4-[(2E)-2-{4-[(2-chloro-6-fluorobenzyl)oxy]-3-methoxybenzylidene}hydrazinyl]-N-phenyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
Catalog ID
STL428324
SMILES COc1cc(/C=N/Nc2nc(Nc3ccccc3)nc(n2)N2CCCC2)ccc1OCc1c(F)cccc1Cl
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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 C28H27ClFN7O2 MW 548.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClFN7O2/c1-38-25-16-19(12-13-24(25)39-18-21-22(29)10-7-11-23(21)30)17-31-36-27-33-26(32-20-8-3-2-4-9-20)34-28(35-27)37-14-5-6-15-37/h2-4,7-13,16-17H,5-6,14-15,18H2,1H3,(H2,32,33,34,35,36)/b31-17+InChIKey
VOWOFEPAIVZKRN-KBVAKVRCSA-NSynonyms
2N((E)(4((2chloro6fluorophenyl)methoxy)3methoxyphenyl)methylideneamino)4Nphenyl6pyrrolidin1yl135triazine24diamine
4((2E)2(4((2chloro6fluorobenzyl)oxy)3methoxybenzylidene)hydrazinyl)Nphenyl6(pyrrolidin1yl)135triazin2amine
COC1=C(C=CC(=C1)C=NNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCCC4)OCC5=C(C=CC=C5Cl)F
COc1cc(C=NNc2nc(Nc3ccccc3)nc(n2)N2CCCC2)ccc1OCc1c(F)cccc1Cl
InChI=1SC28H27ClFN7O2c138251619(121324(25)39182122(29)1071123(21)30)173136273326(32208324920)3428(3527)3714561537h247131617H56141518H21H3(H23233343536)b3117+
MFCD02627775
ZINC000101090571
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