Vitas-M small molecule compound
2-{4-[(4-ethylphenoxy)methyl]phenyl}-10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL393537
SMILES CCc1ccc(cc1)OCc1ccc(cc1)c1nn2c(n1)c1c(nc2)Oc2c(C1c1cnn(c1)C)c(C)[nH]n2
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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 C29H26N8O2 MW 518.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N8O2/c1-4-18-7-11-22(12-8-18)38-15-19-5-9-20(10-6-19)26-32-27-25-24(21-13-31-36(3)14-21)23-17(2)33-34-29(23)39-28(25)30-16-37(27)35-26/h5-14,16,24H,4,15H2,1-3H3,(H,33,34)InChIKey
DCDSIABKDDXDRA-UHFFFAOYSA-NSynonyms
1005639-57-51005639575
2(4((4ethylphenoxy)methyl)phenyl)10methyl11(1methyl1Hpyrazol4yl)911dihydropyrazolo(4356)pyrano(32e)(124)triazolo(15c)pyrimidine
CCC1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=NN4C=NC5=C(C4=N3)C(C6=C(NN=C6O5)C)C7=CN(N=C7)C
CCc1ccc(cc1)OCc1ccc(cc1)c1nn2c(n1)c1c(nc2)Oc2c(C1c1cnn(c1)C)c(C)(nH)n2
InChI=1SC29H26N8O2c141871122(12818)3815195920(10619)2632272524(21133136(3)1421)2317(2)333429(23)3928(25)301637(27)3526h5141624H415H213H3(H3334)
MFCD08553569
ZINC000022843236
ZINC000022843241
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