Vitas-M small molecule compound
9-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-2-[(pyridin-2-ylmethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335338
SMILES CC(C1C2=C(CCCC2=O)Nc2n1nc(n2)SCc1ccccn1)Cc1ccc2c(c1)OCO2
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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 C25H25N5O3S MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O3S/c1-15(11-16-8-9-20-21(12-16)33-14-32-20)23-22-18(6-4-7-19(22)31)27-24-28-25(29-30(23)24)34-13-17-5-2-3-10-26-17/h2-3,5,8-10,12,15,23H,4,6-7,11,13-14H2,1H3,(H,27,28,29)InChIKey
HKDKLUQJVBRRNO-UHFFFAOYSA-NSynonyms
9(1(13benzodioxol5yl)propan2yl)2((pyridin2ylmethyl)sulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(1(13benzodioxol5yl)propan2yl)2(pyridin2ylmethylsulfanyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
CC(CC1=CC2=C(C=C1)OCO2)C3C4=C(CCCC4=O)N=C5N3NC(=N5)SCC6=CC=CC=N6
InChI=1SC25H25N5O3Sc115(1116892021(1216)33143220)232218(64719(22)31)27242825(2930(23)24)341317523102617h235810121523H467111314H21H3(H272829)
MFCD09799388
ZINC000018198681
ZINC000018198686
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