Vitas-M small molecule compound
12-(3,4-dimethoxyphenyl)-9,9-dimethyl-2-[({[(1Z)-1-phenylethylidene]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
STK270861
SMILES COc1ccc(cc1OC)C1C2=C(Oc3c1c1nc(nn1cn3)CO/N=C(\c1ccccc1)/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 C31H31N5O5 MW 553.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N5O5/c1-18(19-9-7-6-8-10-19)35-40-16-25-33-29-28-26(20-11-12-22(38-4)23(13-20)39-5)27-21(37)14-31(2,3)15-24(27)41-30(28)32-17-36(29)34-25/h6-13,17,26H,14-16H2,1-5H3/b35-18-InChIKey
JLMNHUNPOJRXIZ-AEUUOICLSA-NSynonyms
(Z)12(34dimethoxyphenyl)99dimethyl2((((1phenylethylidene)amino)oxy)methyl)910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
12(34dimethoxyphenyl)99dimethyl2(((((1Z)1phenylethylidene)amino)oxy)methyl)891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
CC(=NOCC1=NN2C=NC3=C(C2=N1)C(C4=C(O3)CC(CC4=O)(C)C)C5=CC(=C(C=C5)OC)OC)C6=CC=CC=C6
COc1ccc(cc1OC)C1C2=C(Oc3c1c1nc(nn1cn3)CON=C(c1ccccc1)C)CC(CC2=O)(C)C
InChI=1SC31H31N5O5c118(1997681019)3540162533292826(20111222(384)23(1320)395)2721(37)1431(23)1524(27)4130(28)321736(29)3425h6131726H1416H215H3b3518
MFCD04159383
ZINC000097962043
ZINC000097962044
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