Vitas-M small molecule compound
2-[(4-chlorophenoxy)methyl]-12-(4-methoxyphenyl)-9,9-dimethyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STK270615
SMILES COc1ccc(cc1)C1C2=C(Oc3c1c1nc(nn1cn3)COc1ccc(cc1)Cl)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 C28H25ClN4O4 MW 516.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN4O4/c1-28(2)12-20(34)24-21(13-28)37-27-25(23(24)16-4-8-18(35-3)9-5-16)26-31-22(32-33(26)15-30-27)14-36-19-10-6-17(29)7-11-19/h4-11,15,23H,12-14H2,1-3H3InChIKey
MGOCAOFPKBIDPQ-UHFFFAOYSA-NSynonyms
848747-19-32((4chlorophenoxy)methyl)12(4methoxyphenyl)99dimethyl891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
2((4chlorophenoxy)methyl)12(4methoxyphenyl)99dimethyl910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
848747193
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)COC5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC)C(=O)C1)C
InChI=1SC28H25ClN4O4c128(2)1220(34)2421(1328)372725(23(24)164818(353)9516)263122(3233(26)153027)14361910617(29)71119h4111523H1214H213H3
MFCD04195945
ZINC000002434555
ZINC000002434556
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