Vitas-M small molecule compound

N-{[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-2-methoxy-3-methylbenzamide

Catalog ID
STK174207
SMILES COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(c1C)c1oc2c(n1)cc(cc2C)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 C26H25N3O3S MW 459.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O3S/c1-14-12-16(3)23-21(13-14)27-25(32-23)18-9-7-11-20(17(18)4)28-26(33)29-24(30)19-10-6-8-15(2)22(19)31-5/h6-13H,1-5H3,(H2,28,29,30,33)
InChIKey
QAYPZAXPACCGGT-UHFFFAOYSA-N
Synonyms

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=CC(=CC(=C4O3)C)C
InChI=1SC26H25N3O3Sc1141216(3)2321(1314)2725(3223)18971120(17(18)4)2826(33)2924(30)19106815(2)22(19)315h613H15H3(H228293033)
MFCD04096395
N((3(57DIMETHYL13BENZOXAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)2METHOXY3METHYLBENZAMIDE
ZINC000009892151
ZINC09892151
ZINC9892151

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Available files

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