Vitas-M small molecule compound

6-(2,5-dimethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Catalog ID
STL049058
SMILES COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1n[nH]c(c1)c1ccccc1)OC

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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 C21H18N6O2S MW 418.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6O2S/c1-28-14-8-9-19(29-2)15(10-14)18-12-30-21-25-24-20(27(21)26-18)17-11-16(22-23-17)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,23)
InChIKey
BXYYAJUTKNGAKW-UHFFFAOYSA-N
Synonyms
716341-86-5
6(25DIMETHOXYPHENYL)3(3PHENYL1HPYRAZOL5YL)7H(124)TRIAZOLO(34B)(134)THIADIAZINE
6(25dimethoxyphenyl)3(5phenyl1Hpyrazol3yl)7H(124)triazolo(34b)(134)thiadiazine
716341865
COC1=CC(=C(C=C1)OC)C2=NN3C(=NN=C3SC2)C4=CC(=NN4)C5=CC=CC=C5
COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1(nH)nc(c1)c1ccccc1)OC
COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1n(nH)c(c1)c1ccccc1)OC
InChI=1SC21H18N6O2Sc128148919(292)15(1014)18123021252420(27(21)2618)171116(222317)136435713h311H12H212H3(H2223)
MFCD05738858
ZINC000009308596
ZINC09308596
ZINC9308596

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Available files

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