Vitas-M small molecule compound
2-amino-6,6-dimethyl-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK336045
SMILES COc1c(OC)cc(cc1OC)C1C2=C(Nc3n1nc(n3)N)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 C20H25N5O4 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O4/c1-20(2)8-11-15(12(26)9-20)16(25-19(22-11)23-18(21)24-25)10-6-13(27-3)17(29-5)14(7-10)28-4/h6-7,16H,8-9H2,1-5H3,(H3,21,22,23,24)InChIKey
RRNKZQZNDIEHMX-UHFFFAOYSA-NSynonyms
2amino66dimethyl9(345trimethoxyphenyl)1579tetrahydro(124)triazolo(51b)quinazolin8one
2amino66dimethyl9(345trimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
CC1(CC2=C(C(N3C(=N2)N=C(N3)N)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C1)C
InChI=1SC20H25N5O4c120(2)81115(12(26)920)16(2519(2211)2318(21)2425)10613(273)17(295)14(710)284h6716H89H215H3(H321222324)
MFCD09964442
ZINC000018200845
ZINC000018200847
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