Vitas-M small molecule compound
(8E)-8-benzylidene-2-(1,3-dimethyl-1H-pyrazol-5-yl)-12-phenyl-8,10,11,12-tetrahydro-9H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL402593
SMILES Cc1nn(c(c1)c1nn2c(n1)c1c(nc2)OC2=C(C1c1ccccc1)CCC/C/2=C\c1ccccc1)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 C30H26N6O MW 486.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N6O/c1-19-16-24(35(2)33-19)28-32-29-26-25(21-12-7-4-8-13-21)23-15-9-14-22(17-20-10-5-3-6-11-20)27(23)37-30(26)31-18-36(29)34-28/h3-8,10-13,16-18,25H,9,14-15H2,1-2H3/b22-17+InChIKey
IUKFZTGAEXLMPS-OQKWZONESA-NSynonyms
1005616-37-4(8E)8benzylidene2(13dimethyl1Hpyrazol5yl)12phenyl8101112tetrahydro9Hchromeno(32e)(124)triazolo(15c)pyrimidine
1005616374
CC1=NN(C(=C1)C2=NN3C=NC4=C(C3=N2)C(C5=C(O4)C(=CC6=CC=CC=C6)CCC5)C7=CC=CC=C7)C
Cc1nn(c(c1)c1nn2c(n1)c1c(nc2)OC2=C(C1c1ccccc1)CCCC2=Cc1ccccc1)C
InChI=1SC30H26N6Oc1191624(35(2)3319)2832292625(21127481321)231591422(1720105361120)27(23)3730(26)311836(29)3428h381013161825H91415H212H3b2217+
MFCD06197058
ZINC000022744319
ZINC000022744323
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