Vitas-M small molecule compound
2-(4-fluorophenyl)-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
STK270602
SMILES COc1ccc(cc1)C1C2=C(Oc3c1c1nc(nn1cn3)c1ccc(cc1)F)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 C27H23FN4O3 MW 470.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23FN4O3/c1-27(2)12-19(33)22-20(13-27)35-26-23(21(22)15-6-10-18(34-3)11-7-15)25-30-24(31-32(25)14-29-26)16-4-8-17(28)9-5-16/h4-11,14,21H,12-13H2,1-3H3InChIKey
YYYLIQYSGCRTEU-UHFFFAOYSA-NSynonyms
844648-90-42(4fluorophenyl)12(4methoxyphenyl)99dimethyl891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
2(4fluorophenyl)12(4methoxyphenyl)99dimethyl910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
844648904
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)C5=CC=C(C=C5)F)C6=CC=C(C=C6)OC)C(=O)C1)C
InChI=1SC27H23FN4O3c127(2)1219(33)2220(1327)352623(21(22)1561018(343)11715)253024(3132(25)142926)164817(28)9516h4111421H1213H213H3
MFCD04158913
ZINC000009215745
ZINC000009215746
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