Vitas-M small molecule compound
2-(2-chlorophenyl)-12-(3,4-dimethoxyphenyl)-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
STL240940
SMILES COc1ccc(cc1OC)C1C2=C(Oc3c1c1nc(nn1cn3)c1ccccc1Cl)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)12-18(34)23-21(13-28)37-27-24(22(23)15-9-10-19(35-3)20(11-15)36-4)26-31-25(32-33(26)14-30-27)16-7-5-6-8-17(16)29/h5-11,14,22H,12-13H2,1-4H3InChIKey
KMARLRBNEKJHOC-UHFFFAOYSA-NSynonyms
848738-93-22(2chlorophenyl)12(34dimethoxyphenyl)99dimethyl891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
2(2chlorophenyl)12(34dimethoxyphenyl)99dimethyl910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
848738932
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)C5=CC=CC=C5Cl)C6=CC(=C(C=C6)OC)OC)C(=O)C1)C
InChI=1SC28H25ClN4O4c128(2)1218(34)2321(1328)372724(22(23)1591019(353)20(1115)364)263125(3233(26)143027)16756817(16)29h5111422H1213H214H3
MFCD04194752
ZINC000002431856
ZINC000002431857
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