Vitas-M small molecule compound
5-methyl-2-(methylsulfanyl)-7-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Catalog ID
STL361769
SMILES CSc1nn2c(n1)nc(c1c2ccn(c1=O)c1[nH]nc(n1)C(F)(F)F)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 C13H9F3N8OS MW 382.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9F3N8OS/c1-5-7-6(24-10(17-5)19-12(22-24)26-2)3-4-23(8(7)25)11-18-9(20-21-11)13(14,15)16/h3-4H,1-2H3,(H,18,20,21)InChIKey
VPSHLSIJITZBRY-UHFFFAOYSA-NSynonyms
5methyl2(methylsulfanyl)7(3(trifluoromethyl)1H124triazol5yl)pyrido(34e)(124)triazolo(15a)pyrimidin6(7H)one
CC1=NC2=NC(=NN2C3=C1C(=O)N(C=C3)C4=NNC(=N4)C(F)(F)F)SC
CSc1nn2c(n1)nc(c1c2ccn(c1=O)c1(nH)nc(n1)C(F)(F)F)C
InChI=1SC13H9F3N8OSc1576(2410(175)1912(2224)262)3423(8(7)25)11189(202111)13(1415)16h34H12H3(H182021)
MFCD22439055
ZINC000072437324
ZINC72437324
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