Vitas-M small molecule compound
4-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-1-benzofuran-2-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK450352
SMILES COc1cc(ccc1OC)CCn1c(S)nnc1c1oc2c(c1C)cccc2
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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 C21H21N3O3S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S/c1-13-15-6-4-5-7-16(15)27-19(13)20-22-23-21(28)24(20)11-10-14-8-9-17(25-2)18(12-14)26-3/h4-9,12H,10-11H2,1-3H3,(H,23,28)InChIKey
FUANLFRGOGBFGT-UHFFFAOYSA-NSynonyms
4(2(34dimethoxyphenyl)ethyl)3(3methyl1benzofuran2yl)1H124triazole5thione
4(2(34dimethoxyphenyl)ethyl)5(3methyl1benzofuran2yl)4H124triazole3thiol
4(2(34DIMETHOXYPHENYL)ETHYL)5(3METHYLBENZO(D)FURAN2YL)124TRIAZOLE3THIOL
CC1=C(OC2=CC=CC=C12)C3=NNC(=S)N3CCC4=CC(=C(C=C4)OC)OC
InChI=1SC21H21N3O3Sc11315645716(15)2719(13)20222321(28)24(20)1110148917(252)18(1214)263h4912H1011H213H3(H2328)
MFCD06758121
ZINC000017080867
ZINC17080867
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