Vitas-M small molecule compound
3-{2-[(2-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid
Catalog ID
STK954964
SMILES OC(=O)CCc1c(C)nc2n(c1C)nc(n2)SCc1ccccc1Cl
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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 C17H17ClN4O2S MW 376.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN4O2S/c1-10-13(7-8-15(23)24)11(2)22-16(19-10)20-17(21-22)25-9-12-5-3-4-6-14(12)18/h3-6H,7-9H2,1-2H3,(H,23,24)InChIKey
BGENCAMVJIICRE-UHFFFAOYSA-NSynonyms
1054413-65-81054413658
3(2((2chlorobenzyl)sulfanyl)57dimethyl(124)triazolo(15a)pyrimidin6yl)propanoicacid
3(2((2CHLOROBENZYL)THIO)57DIMETHYL(124)TRIAZOLO(15A)PYRIMIDIN6YL)PROPANOICACID
3(2((2chlorophenyl)methylsulfanyl)57dimethyl(124)triazolo(15a)pyrimidin6yl)propanoicacid
3(2((2CHLOROPHENYL)METHYLTHIO)57DIMETHYL8HYDRO124TRIAZOLO(15A)PYRIMIDIN6YL)PROPANOICACID
CC1=C(C(=NC2=NC(=NN12)SCC3=CC=CC=C3Cl)C)CCC(=O)O
InChI=1SC17H17ClN4O2Sc11013(7815(23)24)11(2)2216(1910)2017(2122)25912534614(12)18h36H79H212H3(H2324)
MFCD18181110
ZINC000013209627
ZINC13209627
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