Vitas-M small molecule compound
2-(3,4-dimethoxyphenyl)-9,9-dimethyl-12-(pyridin-3-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STK945492
SMILES COc1ccc(cc1OC)c1nc2n(n1)cnc1c2C(c2cccnc2)C2=C(O1)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)11-17(33)22-20(12-27)36-26-23(21(22)16-6-5-9-28-13-16)25-30-24(31-32(25)14-29-26)15-7-8-18(34-3)19(10-15)35-4/h5-10,13-14,21H,11-12H2,1-4H3InChIKey
PNGFHOQSPSCPLY-UHFFFAOYSA-NSynonyms
2(34dimethoxyphenyl)99dimethyl12(pyridin3yl)891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)C5=CC(=C(C=C5)OC)OC)C6=CN=CC=C6)C(=O)C1)C
InChI=1SC27H25N5O4c127(2)1117(33)2220(1227)362623(21(22)16659281316)253024(3132(25)142926)157818(343)19(1015)354h510131421H1112H214H3
MFCD18180638
ZINC000044928692
ZINC000044928694
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