Vitas-M small molecule compound
4-{[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK596359
SMILES COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/C(=C/c1ccccc1)/C
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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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c1-14(10-15-8-6-5-7-9-15)13-22-25-20(23-24-21(25)29)16-11-17(26-2)19(28-4)18(12-16)27-3/h5-13H,1-4H3,(H,24,29)/b14-10+,22-13+InChIKey
ZIOFDSIDOWUWEA-SPVJMAIJSA-NSynonyms
498538-45-74(((1E2E)2methyl3phenylprop2en1ylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((1E3E)3METHYL4PHENYL1AZABUTA13DIENYL)5(345TRIMETHOXYPHENYL)124TRIAZOLE3THIOL
4((E)((E)2METHYL3PHENYLPROP2ENYLIDENE)AMINO)3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
498538457
CC(=CC1=CC=CC=C1)C=NN2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC
COc1cc(cc(c1OC)OC)c1n(nH)c(=S)n1N=CC(=Cc1ccccc1)C
InChI=1SC21H22N4O3Sc114(10158657915)13222520(232421(25)29)161117(262)19(284)18(1216)273h513H14H3(H2429)b1410+2213+
MFCD07205057
ZINC000005665278
ZINC33341771
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