Vitas-M small molecule compound
12-(3,4-dimethoxyphenyl)-9,9-dimethyl-2-[({[(1Z)-1-(4-methylphenyl)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
STK270862
SMILES COc1ccc(cc1OC)C1C2=C(Oc3c1c1nc(nn1cn3)CO/N=C(\c1ccc(cc1)C)/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 C32H33N5O5 MW 567.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N5O5/c1-18-7-9-20(10-8-18)19(2)36-41-16-26-34-30-29-27(21-11-12-23(39-5)24(13-21)40-6)28-22(38)14-32(3,4)15-25(28)42-31(29)33-17-37(30)35-26/h7-13,17,27H,14-16H2,1-6H3/b36-19-InChIKey
SUDRMGZNSVDJRF-WBIBEUCMSA-NSynonyms
12(34dimethoxyphenyl)99dimethyl2(((((1Z)1(4methylphenyl)ethylidene)amino)oxy)methyl)891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
CC1=CC=C(C=C1)C(=NOCC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)CC(CC5=O)(C)C)C6=CC(=C(C=C6)OC)OC)C
COc1ccc(cc1OC)C1C2=C(Oc3c1c1nc(nn1cn3)CON=C(c1ccc(cc1)C)C)CC(CC2=O)(C)C
InChI=1SC32H33N5O5c1187920(10818)19(2)3641162634302927(21111223(395)24(1321)406)2822(38)1432(34)1525(28)4231(29)331737(30)3526h7131727H1416H216H3b3619
MFCD04171365
ZINC000097962046
ZINC000097962047
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