Vitas-M small molecule compound

4-[2-(3,4-diethoxyphenyl)ethyl]-5-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol

Catalog ID
STK307419
SMILES CCOc1cc(ccc1OCC)CCn1c(S)nnc1c1ccc(o1)COc1cc(C)ccc1C

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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 C27H31N3O4S MW 493.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4S/c1-5-31-22-11-9-20(16-25(22)32-6-2)13-14-30-26(28-29-27(30)35)23-12-10-21(34-23)17-33-24-15-18(3)7-8-19(24)4/h7-12,15-16H,5-6,13-14,17H2,1-4H3,(H,29,35)
InChIKey
RQUIACXFHQDRDK-UHFFFAOYSA-N
Synonyms
828292-05-3
4(2(34DIETHOXYPHENYL)ETHYL)3(5((25DIMETHYLPHENOXY)METHYL)FURAN2YL)1H124TRIAZOLE5THIONE
4(2(34diethoxyphenyl)ethyl)5(5((25dimethylphenoxy)methyl)furan2yl)4H124triazole3thiol
828292053
CCOC1=C(C=C(C=C1)CCN2C(=NNC2=S)C3=CC=C(O3)COC4=C(C=CC(=C4)C)C)OCC
InChI=1SC27H31N3O4Sc15312211920(1625(22)3262)13143026(282927(30)35)23121021(3423)1733241518(3)7819(24)4h7121516H56131417H214H3(H2935)
MFCD04049752
ZINC000002793607
ZINC02793607
ZINC2793607

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Available files

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