Vitas-M small molecule compound
12-(3,4-dimethoxyphenyl)-9,9-dimethyl-2-(pyridin-2-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STK945408
SMILES COc1ccc(cc1OC)C1C2=C(Oc3c1c1nc(nn1cn3)c1ccccn1)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 C27H25N5O4 MW 483.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O4/c1-27(2)12-17(33)22-20(13-27)36-26-23(21(22)15-8-9-18(34-3)19(11-15)35-4)25-30-24(31-32(25)14-29-26)16-7-5-6-10-28-16/h5-11,14,21H,12-13H2,1-4H3InChIKey
OOHMBDMNUPIBPH-UHFFFAOYSA-NSynonyms
847182-52-912(34dimethoxyphenyl)99dimethyl2(pyridin2yl)891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
12(34dimethoxyphenyl)99dimethyl2(pyridin2yl)910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
847182529
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)C5=CC=CC=N5)C6=CC(=C(C=C6)OC)OC)C(=O)C1)C
InChI=1SC27H25N5O4c127(2)1217(33)2220(1327)362623(21(22)158918(343)19(1115)354)253024(3132(25)142926)16756102816h5111421H1213H214H3
MFCD04184464
ZINC000002398338
ZINC000002398339
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