Vitas-M small molecule compound
9-(2,4-dimethoxyphenyl)-2-[(pyridin-2-ylmethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335387
SMILES COc1cc(OC)ccc1C1C2=C(CCCC2=O)Nc2n1nc(n2)SCc1ccccn1
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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 C23H23N5O3S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O3S/c1-30-15-9-10-16(19(12-15)31-2)21-20-17(7-5-8-18(20)29)25-22-26-23(27-28(21)22)32-13-14-6-3-4-11-24-14/h3-4,6,9-12,21H,5,7-8,13H2,1-2H3,(H,25,26,27)InChIKey
JESFAYUCUBODLN-UHFFFAOYSA-NSynonyms
9(24dimethoxyphenyl)2((pyridin2ylmethyl)sulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(24dimethoxyphenyl)2(pyridin2ylmethylsulfanyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
COC1=CC(=C(C=C1)C2C3=C(CCCC3=O)N=C4N2NC(=N4)SCC5=CC=CC=N5)OC
InChI=1SC23H23N5O3Sc1301591016(19(1215)312)212017(75818(20)29)25222623(2728(21)22)321314634112414h34691221H57813H212H3(H252627)
MFCD09799050
ZINC000018198818
ZINC000018198820
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