Vitas-M small molecule compound
ethyl 4-({3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)piperazine-1-carboxylate
Catalog ID
STK865417
SMILES CCOC(=O)N1CCN(CC1)Cn1nc(n(c1=S)C)COc1ccc(c(c1)C)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 C20H29N5O3S MW 419.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29N5O3S/c1-5-27-20(26)24-10-8-23(9-11-24)14-25-19(29)22(4)18(21-25)13-28-17-7-6-15(2)16(3)12-17/h6-7,12H,5,8-11,13-14H2,1-4H3InChIKey
OJEQLUQENOZCQD-UHFFFAOYSA-NSynonyms
311791-77-2311791772
CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC(=C(C=C3)C)C)C
ETHYL4((3((34DIMETHYLPHENOXY)METHYL)4METHYL5SULFANYLIDENE124TRIAZOL1YL)METHYL)PIPERAZINE1CARBOXYLATE
ETHYL4((3((34DIMETHYLPHENOXY)METHYL)4METHYL5THIOXO124TRIAZOLINYL)METHYL)PIPERAZINECARBOXYLATE
ethyl4((3((34dimethylphenoxy)methyl)4methyl5thioxo45dihydro1H124triazol1yl)methyl)piperazine1carboxylate
InChI=1SC20H29N5O3Sc152720(26)2410823(91124)142519(29)22(4)18(2125)1328177615(2)16(3)1217h6712H58111314H214H3
MFCD01207105
ZINC000019854037
ZINC19854037
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