Vitas-M small molecule compound
2-{[4-(1,3-benzodioxol-5-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Catalog ID
STK850418
SMILES S=c1[nH]nc(n1c1ccc2c(c1)OCO2)Cn1ncc2c(c1=O)cccc2
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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 C18H13N5O3S MW 379.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N5O3S/c24-17-13-4-2-1-3-11(13)8-19-22(17)9-16-20-21-18(27)23(16)12-5-6-14-15(7-12)26-10-25-14/h1-8H,9-10H2,(H,21,27)InChIKey
CZVXWCDURHACFA-UHFFFAOYSA-NSynonyms
728000-21-31(2H)PHTHALAZINONE2((4(13BENZODIOXOL5YL)5MERCAPTO4H124TRIAZOL3YL)METHYL)
2((4(13BENZODIOXOL5YL)5SULFANYLIDENE1H124TRIAZOL3YL)METHYL)PHTHALAZIN1ONE
2((4(13benzodioxol5yl)5thioxo45dihydro1H124triazol3yl)methyl)phthalazin1(2H)one
728000213
C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)CN4C(=O)C5=CC=CC=C5C=N4
InChI=1SC18H13N5O3Sc241713421311(13)81922(17)916202118(27)23(16)12561415(712)26102514h18H910H2(H2127)
MFCD07198639
S=c1(nH)nc(n1c1ccc2c(c1)OCO2)Cn1ncc2c(c1=O)cccc2
ZINC02218656
ZINC05804702
ZINC5804702
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