Vitas-M small molecule compound
12-(4-methoxyphenyl)-9,9-dimethyl-2-[({[(1E)-1-(thiophen-2-yl)ethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STK597953
SMILES COc1ccc(cc1)C1C2=C(Oc3c1c1nc(nn1cn3)CO/N=C(/c1cccs1)\C)CC(CC2=O)(C)C
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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 C28H27N5O4S MW 529.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O4S/c1-16(21-6-5-11-38-21)32-36-14-22-30-26-25-23(17-7-9-18(35-4)10-8-17)24-19(34)12-28(2,3)13-20(24)37-27(25)29-15-33(26)31-22/h5-11,15,23H,12-14H2,1-4H3/b32-16+InChIKey
APTAGRCWFBLRRZ-KPGMTVGESA-NSynonyms
845652-09-7(E)12(4methoxyphenyl)99dimethyl2((((1(thiophen2yl)ethylidene)amino)oxy)methyl)910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
12(4methoxyphenyl)99dimethyl2(((((1E)1(thiophen2yl)ethylidene)amino)oxy)methyl)891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
845652097
CC(=NOCC1=NN2C=NC3=C(C2=N1)C(C4=C(O3)CC(CC4=O)(C)C)C5=CC=C(C=C5)OC)C6=CC=CS6
COc1ccc(cc1)C1C2=C(Oc3c1c1nc(nn1cn3)CON=C(c1cccs1)C)CC(CC2=O)(C)C
InChI=1SC28H27N5O4Sc116(2165113821)3236142230262523(177918(354)10817)2419(34)1228(23)1320(24)3727(25)291533(26)3122h5111523H1214H214H3b3216+
MFCD04167812
ZINC000101114253
ZINC000101114255
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