Vitas-M small molecule compound
methyl 4-[7-(4-methoxyphenyl)-2-methyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate
Catalog ID
STL234057
SMILES COc1ccc(cc1)C1C2=C(Nc3n1ncn3)c1c(OC2c2ccc(cc2)C(=O)OC)ccc(c1)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 C28H24N4O4 MW 480.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O4/c1-16-4-13-22-21(14-16)24-23(26(36-22)18-5-7-19(8-6-18)27(33)35-3)25(32-28(31-24)29-15-30-32)17-9-11-20(34-2)12-10-17/h4-15,25-26H,1-3H3,(H,29,30,31)InChIKey
YMUHAPPTWJGBMC-UHFFFAOYSA-NSynonyms
877646-43-0877646430
CC1=CC2=C(C=C1)OC(C3=C2N=C4N=CNN4C3C5=CC=C(C=C5)OC)C6=CC=C(C=C6)C(=O)OC
InChI=1SC28H24N4O4c1164132221(1416)2423(26(3622)185719(8618)27(33)353)25(3228(3124)29153032)1791120(342)121017h4152526H13H3(H293031)
methyl4(7(4methoxyphenyl)2methyl712dihydro6Hchromeno(43d)(124)triazolo(15a)pyrimidin6yl)benzoate
MFCD05705256
ZINC000009346249
ZINC000013811447
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