Vitas-M small molecule compound
4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(1H-pyrrol-1-yl)phenyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK450347
SMILES COc1ccc(cc1OC)CCn1c(S)nnc1c1ccc(cc1)n1cccc1
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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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-27-19-10-5-16(15-20(19)28-2)11-14-26-21(23-24-22(26)29)17-6-8-18(9-7-17)25-12-3-4-13-25/h3-10,12-13,15H,11,14H2,1-2H3,(H,24,29)InChIKey
REMGBRNJMPFDBN-UHFFFAOYSA-NSynonyms
4(2(34dimethoxyphenyl)ethyl)3(4pyrrol1ylphenyl)1H124triazole5thione
4(2(34dimethoxyphenyl)ethyl)5(4(1Hpyrrol1yl)phenyl)4H124triazole3thiol
4(2(34DIMETHOXYPHENYL)ETHYL)5(4PYRROLYLPHENYL)124TRIAZOLE3THIOL
COC1=C(C=C(C=C1)CCN2C(=NNC2=S)C3=CC=C(C=C3)N4C=CC=C4)OC
InChI=1SC22H22N4O2Sc1271910516(1520(19)282)11142621(232422(26)29)176818(9717)2512341325h310121315H1114H212H3(H2429)
MFCD06758116
ZINC000017087425
ZINC17087425
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