Vitas-M small molecule compound
{3,5-bis[(thiophen-2-ylmethyl)amino]-1H-1,2,4-triazol-1-yl}(3,4-dimethoxyphenyl)methanone
Catalog ID
STK187655
SMILES COc1cc(ccc1OC)C(=O)n1nc(nc1NCc1cccs1)NCc1cccs1
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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 C21H21N5O3S2 MW 455.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3S2/c1-28-17-8-7-14(11-18(17)29-2)19(27)26-21(23-13-16-6-4-10-31-16)24-20(25-26)22-12-15-5-3-9-30-15/h3-11H,12-13H2,1-2H3,(H2,22,23,24,25)InChIKey
HKXZTGGGGJBNAY-UHFFFAOYSA-NSynonyms
(35BIS((THIOPHEN2YLMETHYL)AMINO)1H124TRIAZOL1YL)(34DIMETHOXYPHENYL)METHANONE
(35BIS(THIOPHEN2YLMETHYLAMINO)124TRIAZOL1YL)(34DIMETHOXYPHENYL)METHANONE
COC1=C(C=C(C=C1)C(=O)N2C(=NC(=N2)NCC3=CC=CS3)NCC4=CC=CS4)OC
InChI=1SC21H21N5O3S2c128178714(1118(17)292)19(27)2621(23131664103116)2420(2526)2212155393015h311H1213H212H3(H222232425)
MFCD06628677
ZINC000009907559
ZINC09907559
ZINC9907559
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