Vitas-M small molecule compound
1,5-dimethyl-4-[(E)-{[3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]imino}methyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STK979804
SMILES CSc1nnc(n1/N=C/c1c(=O)n(n(c1C)C)c1ccccc1)c1ccccc1
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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 C21H20N6OS MW 404.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6OS/c1-15-18(20(28)27(25(15)2)17-12-8-5-9-13-17)14-22-26-19(23-24-21(26)29-3)16-10-6-4-7-11-16/h4-14H,1-3H3/b22-14+InChIKey
TVDBIZJCSKFUPC-HYARGMPZSA-NSynonyms
362482-80-215dimethyl4((E)((3(methylsulfanyl)5phenyl4H124triazol4yl)imino)methyl)2phenyl12dihydro3Hpyrazol3one
15dimethyl4((E)(3methylsulfanyl5phenyl124triazol4yl)iminomethyl)2phenylpyrazol3one
362482802
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NN3C(=NN=C3SC)C4=CC=CC=C4
CSc1nnc(n1N=Cc1c(=O)n(n(c1C)C)c1ccccc1)c1ccccc1
InChI=1SC21H20N6OSc11518(20(28)27(25(15)2)17128591317)14222619(232421(26)293)16106471116h414H13H3b2214+
MFCD01161809
ZINC000002738491
ZINC2738490
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