Vitas-M small molecule compound
2-amino-9-(biphenyl-4-yl)-6-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335441
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1n(C2c2ccc(cc2)c2ccccc2)nc(n1)N
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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 C29H27N5O3 MW 493.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O3/c1-36-24-13-12-20(16-25(24)37-2)21-14-22-26(23(35)15-21)27(34-29(31-22)32-28(30)33-34)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-13,16,21,27H,14-15H2,1-2H3,(H3,30,31,32,33)InChIKey
OPPZMPKNTGFNOC-UHFFFAOYSA-NSynonyms
2amino6(34dimethoxyphenyl)9(4phenylphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
2amino9(biphenyl4yl)6(34dimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
COC1=C(C=C(C=C1)C2CC3=C(C(N4C(=N3)N=C(N4)N)C5=CC=C(C=C5)C6=CC=CC=C6)C(=O)C2)OC
InChI=1SC29H27N5O3c13624131220(1625(24)372)21142226(23(35)1521)27(3429(3122)3228(30)3334)1910818(91119)176435717h313162127H1415H212H3(H330313233)
MFCD09964001
ZINC000018199053
ZINC000018199059
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