Vitas-M small molecule compound
methyl ({7-oxo-5-[(pyrimidin-2-ylsulfanyl)methyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate
Catalog ID
STK285127
SMILES COC(=O)CSc1nn2c(n1)[nH]c(cc2=O)CSc1ncccn1
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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 C13H12N6O3S2 MW 364.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N6O3S2/c1-22-10(21)7-24-13-17-11-16-8(5-9(20)19(11)18-13)6-23-12-14-3-2-4-15-12/h2-5H,6-7H2,1H3,(H,16,17,18)InChIKey
KRWYSAXYGCESNX-UHFFFAOYSA-NSynonyms
919735-15-2919735152
COC(=O)CSC1=NC2=NC(=CC(=O)N2N1)CSC3=NC=CC=N3
COC(=O)CSc1nn2c(n1)(nH)c(cc2=O)CSc1ncccn1
InChI=1SC13H12N6O3S2c12210(21)724131711168(59(20)19(11)1813)62312143241512h25H67H21H3(H161718)
methyl((7oxo5((pyrimidin2ylsulfanyl)methyl)47dihydro(124)triazolo(15a)pyrimidin2yl)sulfanyl)acetate
methyl2((7oxo5((pyrimidin2ylthio)methyl)47dihydro(124)triazolo(15a)pyrimidin2yl)thio)acetate
methyl2((7oxo5(pyrimidin2ylsulfanylmethyl)1H(124)triazolo(15a)pyrimidin2yl)sulfanyl)acetate
METHYL2(7OXO5(PYRIMIDIN2YLTHIOMETHYL)48DIHYDRO124TRIAZOLO(15A)PYRIMIDIN2YLTHIO)ACETATE
MFCD08719161
ZINC000100071787
ZINC100071787
ZINC9936018
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