Vitas-M small molecule compound
4-({(E)-[3-(benzyloxy)-4-methoxyphenyl]methylidene}amino)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK594619
SMILES COc1ccc(cc1OCc1ccccc1)/C=N/n1c(=S)[nH]nc1c1cc(OC)c(c(c1)OC)OC
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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 C26H26N4O5S MW 506.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O5S/c1-31-20-11-10-18(12-21(20)35-16-17-8-6-5-7-9-17)15-27-30-25(28-29-26(30)36)19-13-22(32-2)24(34-4)23(14-19)33-3/h5-15H,16H2,1-4H3,(H,29,36)/b27-15+InChIKey
LAMWVKUHENQBIO-JFLMPSFJSA-NSynonyms
497230-91-84(((E)(3(benzyloxy)4methoxyphenyl)methylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((E)(4METHOXY3PHENYLMETHOXYPHENYL)METHYLIDENEAMINO)3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
497230918
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC)OCC4=CC=CC=C4
COc1ccc(cc1OCc1ccccc1)C=Nn1c(=S)(nH)nc1c1cc(OC)c(c(c1)OC)OC
InChI=1SC26H26N4O5Sc13120111018(1221(20)3516178657917)15273025(282926(30)36)191322(322)24(344)23(1419)333h515H16H214H3(H2936)b2715+
MFCD07198900
ZINC000016956902
ZINC2344086
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