Vitas-M small molecule compound
12-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2-{5-[(4-propylphenoxy)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1,2,4]triazolo[1',5':1,6]pyrimido[4,5-b]quinoline
Catalog ID
STL400437
SMILES CCCc1ccc(cc1)OCc1ccc(o1)c1nc2n(n1)cnc1c2c(c2c(n1)CCCC2)c1cn(nc1C)CC
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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 C32H33N7O2 MW 547.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N7O2/c1-4-8-21-11-13-22(14-12-21)40-18-23-15-16-27(41-23)30-35-32-29-28(25-17-38(5-2)36-20(25)3)24-9-6-7-10-26(24)34-31(29)33-19-39(32)37-30/h11-17,19H,4-10,18H2,1-3H3InChIKey
IJSPRYHKHNADMD-UHFFFAOYSA-NSynonyms
1005601-78-41005601784
12(1ethyl3methyl1Hpyrazol4yl)2(5((4propylphenoxy)methyl)furan2yl)891011tetrahydro(124)triazolo(1516)pyrimido(45b)quinoline
CCCC1=CC=C(C=C1)OCC2=CC=C(O2)C3=NN4C=NC5=NC6=C(CCCC6)C(=C5C4=N3)C7=CN(N=C7C)CC
InChI=1SC32H33N7O2c14821111322(141221)401823151627(4123)3035322928(251738(52)3620(25)3)249671026(24)3431(29)331939(32)3730h111719H41018H213H3
MFCD04136591
ZINC000097947975
ZINC97947975
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