Vitas-M small molecule compound

3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-6-(2,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STL167723
SMILES COc1ccc(cc1)c1n[nH]c(c1)c1nnc2n1nc(s2)c1cc(OC)c(cc1OC)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 C22H20N6O4S MW 464.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N6O4S/c1-29-13-7-5-12(6-8-13)15-10-16(24-23-15)20-25-26-22-28(20)27-21(33-22)14-9-18(31-3)19(32-4)11-17(14)30-2/h5-11H,1-4H3,(H,23,24)
InChIKey
ZRXUEXVSZLDYTC-UHFFFAOYSA-N
Synonyms

245TRIMETHOXY1(3(3(4METHOXYPHENYL)PYRAZOL5YL)(124TRIAZOLO(34B)134THIADIAZOLIN6YL))BENZENE
3(3(4methoxyphenyl)1Hpyrazol5yl)6(245trimethoxyphenyl)(124)triazolo(34b)(134)thiadiazole
3(4METHOXYPHENYL)5(6(245TRIMETHOXYPHENYL)(124)TRIAZOLO(34B)(134)THIADIAZOL3YL)1HPYRAZOLE
COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C4N3N=C(S4)C5=CC(=C(C=C5OC)OC)OC
COc1ccc(cc1)c1n(nH)c(c1)c1nnc2n1nc(s2)c1cc(OC)c(cc1OC)OC
InChI=1SC22H20N6O4Sc129137512(6813)151016(242315)2025262228(20)2721(3322)14918(313)19(324)1117(14)302h511H14H3(H2324)
MFCD08532091
ZINC000019827733
ZINC19827733

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Available files

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