Vitas-M small molecule compound
methyl {[6-(2-chlorobenzyl)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK263639
SMILES COC(=O)CSc1nn2c(n1)[nH]c(c(c2=O)Cc1ccccc1Cl)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 C16H15ClN4O3S MW 378.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClN4O3S/c1-9-11(7-10-5-3-4-6-12(10)17)14(23)21-15(18-9)19-16(20-21)25-8-13(22)24-2/h3-6H,7-8H2,1-2H3,(H,18,19,20)InChIKey
FPTNSNXYMBZDOF-UHFFFAOYSA-NSynonyms
907972-72-9907972729
CC1=C(C(=O)N2C(=N1)N=C(N2)SCC(=O)OC)CC3=CC=CC=C3Cl
COC(=O)CSc1nn2c(n1)(nH)c(c(c2=O)Cc1ccccc1Cl)C
InChI=1SC16H15ClN4O3Sc1911(710534612(10)17)14(23)2115(189)1916(2021)25813(22)242h36H78H212H3(H181920)
methyl((6(2chlorobenzyl)5methyl7oxo47dihydro(124)triazolo(15a)pyrimidin2yl)sulfanyl)acetate
methyl2((6((2chlorophenyl)methyl)5methyl7oxo1H(124)triazolo(15a)pyrimidin2yl)sulfanyl)acetate
methyl2((6(2chlorobenzyl)5methyl7oxo47dihydro(124)triazolo(15a)pyrimidin2yl)thio)acetate
METHYL2(6((2CHLOROPHENYL)METHYL)5METHYL7OXO48DIHYDRO124TRIAZOLO(15A)PYRIMIDIN2YLTHIO)ACETATE
MFCD08547054
ZINC000100137596
ZINC100137596
ZINC9305451
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