Vitas-M small molecule compound

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

Catalog ID
STK079237
SMILES COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(c1C)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/c1-16-19(26-28-22-11-5-6-13-24(22)34-26)10-7-12-21(16)29-27(33)30-25(31)20-14-17-8-3-4-9-18(17)15-23(20)32-2/h3-15H,1-2H3,(H2,29,30,31,33)
InChIKey
RHFKNNHURYRLIW-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC)C4=NC5=CC=CC=C5S4
COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(c1C)c1nc2c(s1)cccc2
InChI=1SC27H21N3O2S2c11619(26282211561324(22)3426)1071221(16)2927(33)3025(31)201417834918(17)1523(20)322h315H12H3(H229303133)
MFCD02923775
N((3(13BENZOTHIAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)3METHOXYNAPHTHALENE2CARBOXAMIDE
STK079237
ZINC000002864096
ZINC02864096
ZINC2864096

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Available files

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