Vitas-M small molecule compound
methyl 4-(2-methyl-7-phenyl-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate
Catalog ID
STK643491
SMILES COC(=O)c1ccc(cc1)C1Oc2ccc(cc2C2=C1C(c1ccccc1)n1c(=N2)[nH]cn1)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 C27H22N4O3 MW 450.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O3/c1-16-8-13-21-20(14-16)23-22(25(34-21)18-9-11-19(12-10-18)26(32)33-2)24(17-6-4-3-5-7-17)31-27(30-23)28-15-29-31/h3-15,24-25H,1-2H3,(H,28,29,30)InChIKey
PDEPLQNXKQUJIC-UHFFFAOYSA-NSynonyms
698380-64-2698380642
CC1=CC2=C(C=C1)OC(C3=C2N=C4N=CNN4C3C5=CC=CC=C5)C6=CC=C(C=C6)C(=O)OC
COC(=O)c1ccc(cc1)C1Oc2ccc(cc2C2=C1C(c1ccccc1)n1c(=N2)(nH)cn1)C
InChI=1SC27H22N4O3c1168132120(1416)2322(25(3421)1891119(121018)26(32)332)24(176435717)3127(3023)28152931h3152425H12H3(H282930)
methyl4(2methyl7phenyl711dihydro6Hchromeno(43d)(124)triazolo(15a)pyrimidin6yl)benzoate
MFCD18163324
ZINC000002916757
ZINC000002916763
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