Vitas-M small molecule compound

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

Catalog ID
STK586925
SMILES COc1c(OC)ccc(c1OC)/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 C21H24N4O6S MW 460.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O6S/c1-26-14-8-7-12(17(29-4)19(14)31-6)11-22-25-20(23-24-21(25)32)13-9-15(27-2)18(30-5)16(10-13)28-3/h7-11H,1-6H3,(H,24,32)/b22-11+
InChIKey
CZJDYLJPXQYWSX-SSDVNMTOSA-N
Synonyms
499182-55-7
3(345trimethoxyphenyl)4((E)(234trimethoxyphenyl)methylideneamino)1H124triazole5thione
499182557
5(345trimethoxyphenyl)4(((E)(234trimethoxyphenyl)methylidene)amino)24dihydro3H124triazole3thione
COC1=C(C(=C(C=C1)C=NN2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC)OC)OC
COc1c(OC)ccc(c1OC)C=Nn1c(=S)(nH)nc1c1cc(OC)c(c(c1)OC)OC
InChI=1SC21H24N4O6Sc126148712(17(294)19(14)316)11222520(232421(25)32)13915(272)18(305)16(1013)283h711H16H3(H2432)b2211+
MFCD07211013
ZINC000009319913
ZINC33362604

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Available files

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