Vitas-M small molecule compound
2-[(pyridin-2-ylmethyl)sulfanyl]-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK335380
SMILES COc1cc(cc(c1OC)OC)C1C2=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 C24H25N5O4S MW 479.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5O4S/c1-31-18-11-14(12-19(32-2)22(18)33-3)21-20-16(8-6-9-17(20)30)26-23-27-24(28-29(21)23)34-13-15-7-4-5-10-25-15/h4-5,7,10-12,21H,6,8-9,13H2,1-3H3,(H,26,27,28)InChIKey
ZBYPCWCIPLDFNQ-UHFFFAOYSA-NSynonyms
2((pyridin2ylmethyl)sulfanyl)9(345trimethoxyphenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(pyridin2ylmethylsulfanyl)9(345trimethoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
COC1=CC(=CC(=C1OC)OC)C2C3=C(CCCC3=O)N=C4N2NC(=N4)SCC5=CC=CC=N5
InChI=1SC24H25N5O4Sc131181114(1219(322)22(18)333)212016(86917(20)30)26232724(2829(21)23)341315745102515h457101221H68913H213H3(H262728)
MFCD09799071
ZINC000018198803
ZINC000018198805
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