Vitas-M small molecule compound

4-{[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK574625
SMILES COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/C=C/c1ccccc1OC

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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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-26-16-10-6-5-8-14(16)9-7-11-22-25-20(23-24-21(25)30)15-12-17(27-2)19(29-4)18(13-15)28-3/h5-13H,1-4H3,(H,24,30)/b9-7+,22-11+
InChIKey
JCKNJSVXHCFVTI-GOBVOVFGSA-N
Synonyms
488841-87-8
4(((1E2E)3(2methoxyphenyl)prop2en1ylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((E)((E)3(2METHOXYPHENYL)PROP2ENYLIDENE)AMINO)3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
488841878
COC1=CC=CC=C1C=CC=NN2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC
COc1cc(cc(c1OC)OC)c1n(nH)c(=S)n1N=CC=Cc1ccccc1OC
InChI=1SC21H22N4O4Sc126161065814(16)9711222520(232421(25)30)151217(272)19(294)18(1315)283h513H14H3(H2430)b97+2211+
MFCD07210178
ZINC000009318510
ZINC33782297

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Available files

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