Vitas-M small molecule compound
(5Z)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK799977
SMILES COc1cc(ccc1OC)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)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 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)25-20(17-32(30-25)21-11-7-4-8-12-21)16-24-27(34)33-28(37-24)29-26(31-33)18-9-5-3-6-10-18/h3-17H,1-2H3/b24-16-InChIKey
BKVHRIPOWRDEEP-JLPGSUDCSA-NSynonyms
(5Z)5((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2phenyl(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(34dimethoxyphenyl)1phenylpyrazol4yl)methylidene)2phenyl(13)thiazolo(32b)(124)triazol6one
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=CC=C5)S3)C6=CC=CC=C6)OC
COc1cc(ccc1OC)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccccc1)c1ccccc1
InChI=1SC28H21N5O3Sc13522141319(1523(22)362)2520(1732(3025)21117481221)162427(34)3328(3724)2926(3133)1895361018h317H12H3b2416
MFCD03534282
ZINC000016735319
ZINC16735319
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