Vitas-M small molecule compound

methyl 4-({[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate

Catalog ID
STK284008
SMILES COC(=O)c1ccc(cc1)CSc1nnc(n1C)CN1CCOCC1

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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 C17H22N4O3S MW 362.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O3S/c1-20-15(11-21-7-9-24-10-8-21)18-19-17(20)25-12-13-3-5-14(6-4-13)16(22)23-2/h3-6H,7-12H2,1-2H3
InChIKey
UUZLDMALPBPUKC-UHFFFAOYSA-N
Synonyms

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)CN3CCOCC3
InChI=1SC17H22N4O3Sc12015(1121792410821)181917(20)2512133514(6413)16(22)232h36H712H212H3
METHYL4(((4METHYL5(MORPHOLIN4YLMETHYL)4H124TRIAZOL3YL)SULFANYL)METHYL)BENZOATE
METHYL4((4METHYL5(MORPHOLIN4YLMETHYL)124TRIAZOL3YL)SULFANYLMETHYL)BENZOATE
MFCD04343472
ZINC000019799052
ZINC19799052

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.