Vitas-M small molecule compound
4-[2-(3,4-diethoxyphenyl)ethyl]-5-{5-[(2,4-dimethylphenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307427
SMILES CCOc1cc(ccc1OCC)CCn1c(S)nnc1c1ccc(o1)COc1ccc(cc1C)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 C27H31N3O4S MW 493.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4S/c1-5-31-23-11-8-20(16-25(23)32-6-2)13-14-30-26(28-29-27(30)35)24-12-9-21(34-24)17-33-22-10-7-18(3)15-19(22)4/h7-12,15-16H,5-6,13-14,17H2,1-4H3,(H,29,35)InChIKey
QUDFDTCPXFDWPW-UHFFFAOYSA-NSynonyms
828292-12-24(2(34DIETHOXYPHENYL)ETHYL)3(5((24DIMETHYLPHENOXY)METHYL)FURAN2YL)1H124TRIAZOLE5THIONE
4(2(34diethoxyphenyl)ethyl)5(5((24dimethylphenoxy)methyl)furan2yl)4H124triazole3thiol
828292122
CCOC1=C(C=C(C=C1)CCN2C(=NNC2=S)C3=CC=C(O3)COC4=C(C=C(C=C4)C)C)OCC
InChI=1SC27H31N3O4Sc15312311820(1625(23)3262)13143026(282927(30)35)2412921(3424)17332210718(3)1519(22)4h7121516H56131417H214H3(H2935)
MFCD04053670
ZINC000002793622
ZINC02793622
ZINC2793622
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