Vitas-M small molecule compound

N-{[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-3-methoxynaphthalene-2-carboxamide

Catalog ID
STK173894
SMILES COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(ccc1C)c1nc2c(o1)cccc2

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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 C27H21N3O3S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O3S/c1-16-11-12-19(26-28-21-9-5-6-10-23(21)33-26)14-22(16)29-27(34)30-25(31)20-13-17-7-3-4-8-18(17)15-24(20)32-2/h3-15H,1-2H3,(H2,29,30,31,34)
InChIKey
IEZYWWDEARAIDK-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4OC
InChI=1SC27H21N3O3Sc116111219(2628219561023(21)3326)1422(16)2927(34)3025(31)201317734818(17)1524(20)322h315H12H3(H229303134)
MFCD03138445
N((5(13BENZOXAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)3METHOXYNAPHTHALENE2CARBOXAMIDE
ZINC000002863863
ZINC02863863
ZINC2863863

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Available files

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