Vitas-M small molecule compound
(5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK515996
SMILES COc1cc(/C=C/c2nn3c(n2)s/c(=C\c2cn(nc2c2ccc(cc2)C)c2ccccc2)/c3=O)ccc1OC
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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 C31H25N5O3S MW 547.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N5O3S/c1-20-9-13-22(14-10-20)29-23(19-35(34-29)24-7-5-4-6-8-24)18-27-30(37)36-31(40-27)32-28(33-36)16-12-21-11-15-25(38-2)26(17-21)39-3/h4-19H,1-3H3/b16-12+,27-18-InChIKey
RJITZKPTZKTNAE-FLOBXRKJSA-NSynonyms
(5Z)2((E)2(34dimethoxyphenyl)ethenyl)5((3(4methylphenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2((E)2(34dimethoxyphenyl)ethenyl)5((3(4methylphenyl)1phenylpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6one
CC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C=CC5=CC(=C(C=C5)OC)OC)S3)C6=CC=CC=C6
COc1cc(C=Cc2nn3c(n2)sc(=Cc2cn(nc2c2ccc(cc2)C)c2ccccc2)c3=O)ccc1OC
InChI=1SC31H25N5O3Sc12091322(141020)2923(1935(3429)247546824)182730(37)3631(4027)3228(3336)161221111525(382)26(1721)393h419H13H3b1612+2718
MFCD06645475
ZINC000097946790
ZINC97946790
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