Vitas-M small molecule compound

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

Catalog ID
STK163905
SMILES COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(ccc1C)c1nc2c(s1)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 C27H21N3O2S2 MW 483.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O2S2/c1-16-11-12-19(26-28-21-9-5-6-10-24(21)34-26)14-22(16)29-27(33)30-25(31)20-13-17-7-3-4-8-18(17)15-23(20)32-2/h3-15H,1-2H3,(H2,29,30,31,33)
InChIKey
RIIVUTPEWCDRBB-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4OC
InChI=1SC27H21N3O2S2c116111219(2628219561024(21)3426)1422(16)2927(33)3025(31)201317734818(17)1523(20)322h315H12H3(H229303133)
MFCD03137804
N((5(13BENZOTHIAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)3METHOXYNAPHTHALENE2CARBOXAMIDE
ZINC000002831839
ZINC02831839
ZINC2831839

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Available files

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