Vitas-M small molecule compound
12-(4-methoxyphenyl)-9,9-dimethyl-2-[({[(E)-phenylmethylidene]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
STK270618
SMILES COc1ccc(cc1)C1C2=C(Oc3c1c1nc(nn1cn3)CO/N=C/c1ccccc1)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 C29H27N5O4 MW 509.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O4/c1-29(2)13-21(35)25-22(14-29)38-28-26(24(25)19-9-11-20(36-3)12-10-19)27-32-23(33-34(27)17-30-28)16-37-31-15-18-7-5-4-6-8-18/h4-12,15,17,24H,13-14,16H2,1-3H3/b31-15+InChIKey
DIRVCOVCTMYXIH-IBBHUPRXSA-NSynonyms
848213-35-4(E)benzaldehydeO((12(4methoxyphenyl)99dimethyl11oxo9101112tetrahydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
12(4methoxyphenyl)99dimethyl2(((((E)phenylmethylidene)amino)oxy)methyl)891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
848213354
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)CON=CC5=CC=CC=C5)C6=CC=C(C=C6)OC)C(=O)C1)C
COc1ccc(cc1)C1C2=C(Oc3c1c1nc(nn1cn3)CON=Cc1ccccc1)CC(CC2=O)(C)C
InChI=1SC29H27N5O4c129(2)1321(35)2522(1429)382826(24(25)1991120(363)121019)273223(3334(27)173028)16373115187546818h412151724H131416H213H3b3115+
MFCD04188787
ZINC000002423949
ZINC000002423951
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