Vitas-M small molecule compound

(1-methyl-1H-benzotriazol-5-yl)(thiomorpholin-4-yl)methanone

Catalog ID
STK155541
SMILES O=C(c1ccc2c(c1)nnn2C)N1CCSCC1

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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 C12H14N4OS MW 262.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N4OS/c1-15-11-3-2-9(8-10(11)13-14-15)12(17)16-4-6-18-7-5-16/h2-3,8H,4-7H2,1H3
InChIKey
XPSOYCBQGAPGDD-UHFFFAOYSA-N
Synonyms

(1METHYL1HBENZOTRIAZOL5YL)(THIOMORPHOLIN4YL)METHANONE
(1METHYL1HBENZOTRIAZOL5YL)THIOMORPHOLIN4YLMETHANONE
(1METHYLBENZOTRIAZOL5YL)THIOMORPHOLIN4YLMETHANONE
1METHYL5(4THIOMORPHOLINYLCARBONYL)1H123BENZOTRIAZOLE
1METHYLBENZOTRIAZOL5YL14THIAZAPERHYDROIN4YLKETONE
CN1C2=C(C=C(C=C2)C(=O)N3CCSCC3)N=N1
InChI=1SC12H14N4OSc11511329(810(11)131415)12(17)1646187516h238H47H21H3
MFCD04325356
ZINC000000619155
ZINC00619155
ZINC619155

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Available files

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