Vitas-M small molecule compound

(5Z)-2-(3,4-dimethoxyphenyl)-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK800926
SMILES COc1cc(ccc1OC)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccccc1)c1ccccc1)/c2=O

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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 C28H21N5O3S MW 507.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5O3S/c1-35-22-14-13-19(15-23(22)36-2)26-29-28-33(31-26)27(34)24(37-28)16-20-17-32(21-11-7-4-8-12-21)30-25(20)18-9-5-3-6-10-18/h3-17H,1-2H3/b24-16-
InChIKey
DKIUAVHLUNBSOM-JLPGSUDCSA-N
Synonyms
956042-02-7
(5Z)2(34dimethoxyphenyl)5((13diphenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(34DIMETHOXYPHENYL)5((13DIPHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)2(34dimethoxyphenyl)5((13diphenyl1Hpyrazol4yl)methylene)thiazolo(32b)(124)triazol6(5H)one
956042027
COC1=C(C=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6)SC3=N2)OC
COc1cc(ccc1OC)c1nn2c(n1)sc(=Cc1cn(nc1c1ccccc1)c1ccccc1)c2=O
InChI=1SC28H21N5O3Sc13522141319(1523(22)362)26292833(3126)27(34)24(3728)16201732(21117481221)3025(20)1895361018h317H12H3b2416
MFCD04020846
ZINC000002233180
ZINC02233180
ZINC2233180

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Available files

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