Vitas-M small molecule compound
2-benzyl-12-(4-methoxyphenyl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STK577274
SMILES COc1ccc(cc1)C1C2=C(CCCC2=O)Oc2c1c1nc(nn1cn2)Cc1ccccc1
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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 C26H22N4O3 MW 438.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O3/c1-32-18-12-10-17(11-13-18)22-23-19(31)8-5-9-20(23)33-26-24(22)25-28-21(29-30(25)15-27-26)14-16-6-3-2-4-7-16/h2-4,6-7,10-13,15,22H,5,8-9,14H2,1H3InChIKey
IKMGINFRJSZFPG-UHFFFAOYSA-NSynonyms
879590-96-22benzyl12(4methoxyphenyl)891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
2benzyl12(4methoxyphenyl)910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
879590962
COC1=CC=C(C=C1)C2C3=C(CCCC3=O)OC4=C2C5=NC(=NN5C=N4)CC6=CC=CC=C6
InChI=1SC26H22N4O3c13218121017(111318)222319(31)85920(23)332624(22)252821(2930(25)152726)14166324716h246710131522H58914H21H3
MFCD06791413
ZINC000008994284
ZINC000008994285
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