Vitas-M small molecule compound
2-[(4-chlorophenoxy)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STK270379
SMILES Clc1ccc(cc1)OCc1nc2n(n1)cnc1c2C(c2ccccc2)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 C27H23ClN4O3 MW 486.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN4O3/c1-27(2)12-19(33)23-20(13-27)35-26-24(22(23)16-6-4-3-5-7-16)25-30-21(31-32(25)15-29-26)14-34-18-10-8-17(28)9-11-18/h3-11,15,22H,12-14H2,1-2H3InChIKey
LBYHRSIIAUMQLX-UHFFFAOYSA-NSynonyms
848917-64-62((4chlorophenoxy)methyl)99dimethyl12phenyl891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
2((4chlorophenoxy)methyl)99dimethyl12phenyl910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
848917646
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)COC5=CC=C(C=C5)Cl)C6=CC=CC=C6)C(=O)C1)C
InChI=1SC27H23ClN4O3c127(2)1219(33)2320(1327)352624(22(23)166435716)253021(3132(25)152926)14341810817(28)91118h3111522H1214H212H3
MFCD04198149
ZINC000002440166
ZINC000002440168
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